1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

C19H26N4O2 — CID 70717535

IUPAC1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C19H26N4O2/c1-13(17-11-15-5-3-4-6-16(15)21-17)22(2)18(24)12-23-9-7-14(8-10-23)19(20)25/h3-6,11,13-14,21H,7-10,12H2,1-2H3,(H2,20,25)
InChIKeyMZYRCIADZWDSFF-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 70717535) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID70717535
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C19H26N4O2/c1-13(17-11-15-5-3-4-6-16(15)21-17)22(2)18(24)12-23-9-7-14(8-10-23)19(20)25/h3-6,11,13-14,21H,7-10,12H2,1-2H3,(H2,20,25)
InChIKeyMZYRCIADZWDSFF-UHFFFAOYSA-N
XLogP1.88
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
1-[2-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70739394
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72895408
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
1-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70756872
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
1-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperidine-4-carboxamide
CID 933647
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 70717535) is 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is CC(c1cc2ccccc2[nH]1)N(C)C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is MZYRCIADZWDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(17-11-15-5-3-4-6-16(15)21-17)22(2)18(24)12-23-9-7-14(8-10-23)19(20)25/h3-6,11,13-14,21H,7-10,12H2,1-2H3,(H2,20,25).
What are the key properties of 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70717535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).