2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide

C35H48N4O3 — CID 174200144

IUPAC2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
SMILESC=Cc1ccc(CCC2CCCCN2C(=O)CCN2C(=C)CC3CC=CC=C32)cc1CN(C)C(CCC=O)C(=O)NC
InChIInChI=1S/C35H48N4O3/c1-5-28-17-15-27(24-30(28)25-37(4)33(14-10-22-40)35(42)36-3)16-18-31-12-8-9-20-39(31)34(41)19-21-38-26(2)23-29-11-6-7-13-32(29)38/h5-7,13,15,17,22,24,29,31,33H,1-2,8-12,14,16,18-21,23,25H2,3-4H3,(H,36,42)
InChIKeyFMHUFMCEFZQTCB-UHFFFAOYSA-N
MW572.79 g/mol
LogP5.24
Rot. Bonds14

About 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide

2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide (PubChem CID 174200144) has the molecular formula C35H48N4O3 and a molecular weight of 572.79 g/mol. Its IUPAC name is 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
PubChem CID174200144
Molecular FormulaC35H48N4O3
Molecular Weight572.79 g/mol
Exact Mass572.37
IUPAC Name2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
SMILESC=Cc1ccc(CCC2CCCCN2C(=O)CCN2C(=C)CC3CC=CC=C32)cc1CN(C)C(CCC=O)C(=O)NC
InChIInChI=1S/C35H48N4O3/c1-5-28-17-15-27(24-30(28)25-37(4)33(14-10-22-40)35(42)36-3)16-18-31-12-8-9-20-39(31)34(41)19-21-38-26(2)23-29-11-6-7-13-32(29)38/h5-7,13,15,17,22,24,29,31,33H,1-2,8-12,14,16,18-21,23,25H2,3-4H3,(H,36,42)
InChIKeyFMHUFMCEFZQTCB-UHFFFAOYSA-N
XLogP5.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.79
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide with MolForge

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Related Compounds

2-[[2-ethenyl-5-[[1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]methoxy]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 174197228
3-N-[[5-[2-[1-[(1-benzylpiperidin-4-yl)methyl]piperidin-2-yl]ethyl]-2-ethenylphenyl]methyl]-2-N,3-N-dimethylhepta-1,6-diene-2,3-diamine
CID 174197192
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 124687445
1-[3-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 46990239
1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70777268
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 80658927
4-[7-[2-[1-[3-(6-ethyl-3-pyridinyl)prop-1-en-2-yl]piperidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]hex-5-enal
CID 174199903
2-[4-[3-[4-[4-[7-cyclohexyl-2-[(2-methoxy-4-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]butoxy]propyl]-2-[formyl(methyl)amino]-N-methylanilino]-N-methyl-5-oxopentanamide
CID 177212055
1-[2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45191112
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
(5E)-3-[3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 92946371

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide (CID 174200144) is 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide is C=Cc1ccc(CCC2CCCCN2C(=O)CCN2C(=C)CC3CC=CC=C32)cc1CN(C)C(CCC=O)C(=O)NC.
What is the InChIKey of 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
The InChIKey is FMHUFMCEFZQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N4O3/c1-5-28-17-15-27(24-30(28)25-37(4)33(14-10-22-40)35(42)36-3)16-18-31-12-8-9-20-39(31)34(41)19-21-38-26(2)23-29-11-6-7-13-32(29)38/h5-7,13,15,17,22,24,29,31,33H,1-2,8-12,14,16,18-21,23,25H2,3-4H3,(H,36,42).
What are the key properties of 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide?
2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide has a molecular weight of 572.79 g/mol, XLogP of 5.24, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethenyl-5-[2-[1-[3-(2-methylidene-3a,4-dihydro-3H-indol-1-yl)propanoyl]piperidin-2-yl]ethyl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 174200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).