N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

C21H28N4O2 — CID 77096074

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1
InChIInChI=1S/C21H28N4O2/c22-20(26)15-4-3-10-25(13-15)11-9-23-21(27)14-7-8-17-16-5-1-2-6-18(16)24-19(17)12-14/h7-8,12,15,24H,1-6,9-11,13H2,(H2,22,26)(H,23,27)
InChIKeyCWHJYBYQJUGHGH-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (PubChem CID 77096074) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
PubChem CID77096074
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1
InChIInChI=1S/C21H28N4O2/c22-20(26)15-4-3-10-25(13-15)11-9-23-21(27)14-7-8-17-16-5-1-2-6-18(16)24-19(17)12-14/h7-8,12,15,24H,1-6,9-11,13H2,(H2,22,26)(H,23,27)
InChIKeyCWHJYBYQJUGHGH-UHFFFAOYSA-N
XLogP1.97
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 95194960
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (CID 77096074) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is NC(=O)C1CCCN(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The InChIKey is CWHJYBYQJUGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c22-20(26)15-4-3-10-25(13-15)11-9-23-21(27)14-7-8-17-16-5-1-2-6-18(16)24-19(17)12-14/h7-8,12,15,24H,1-6,9-11,13H2,(H2,22,26)(H,23,27).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is sourced from PubChem (CID 77096074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).