1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide

C21H30N4O2 — CID 165159945

IUPAC1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CN1CCCC(C(N)=O)C1)Cn1c(C)c(C)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-14-15(2)25(20-9-5-4-8-19(14)20)13-18(23-16(3)26)12-24-10-6-7-17(11-24)21(22)27/h4-5,8-9,17-18H,6-7,10-13H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyFEWDYSICYDUPOI-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide

1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 165159945) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID165159945
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CN1CCCC(C(N)=O)C1)Cn1c(C)c(C)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-14-15(2)25(20-9-5-4-8-19(14)20)13-18(23-16(3)26)12-24-10-6-7-17(11-24)21(22)27/h4-5,8-9,17-18H,6-7,10-13H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyFEWDYSICYDUPOI-UHFFFAOYSA-N
XLogP1.96
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
CID 167696224
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 16794425
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide (CID 165159945) is 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide is CC(=O)NC(CN1CCCC(C(N)=O)C1)Cn1c(C)c(C)c2ccccc21.
What is the InChIKey of 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is FEWDYSICYDUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-15(2)25(20-9-5-4-8-19(14)20)13-18(23-16(3)26)12-24-10-6-7-17(11-24)21(22)27/h4-5,8-9,17-18H,6-7,10-13H2,1-3H3,(H2,22,27)(H,23,26).
What are the key properties of 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide?
1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetamido-3-(2,3-dimethylindol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 165159945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).