1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide

C20H25N3O2 — CID 41099535

IUPAC1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3c2C1
InChIInChI=1S/C20H25N3O2/c1-12-2-4-17-15(10-12)16-11-14(3-5-18(16)22-17)20(25)23-8-6-13(7-9-23)19(21)24/h3,5,11-13,22H,2,4,6-10H2,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyWELDQULCYIEYQZ-LBPRGKRZSA-N
MW339.44 g/mol
LogP2.63
Rot. Bonds2

About 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide

1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 41099535) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
PubChem CID41099535
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3c2C1
InChIInChI=1S/C20H25N3O2/c1-12-2-4-17-15(10-12)16-11-14(3-5-18(16)22-17)20(25)23-8-6-13(7-9-23)19(21)24/h3,5,11-13,22H,2,4,6-10H2,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyWELDQULCYIEYQZ-LBPRGKRZSA-N
XLogP2.63
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 51723997
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833822
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26661709
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 154836446
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
(2-cyclopentyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;ethane
CID 143296321
(2-cyclohexyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 173179128
(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 95426173
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide (CID 41099535) is 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide is C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3c2C1.
What is the InChIKey of 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is WELDQULCYIEYQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-2-4-17-15(10-12)16-11-14(3-5-18(16)22-17)20(25)23-8-6-13(7-9-23)19(21)24/h3,5,11-13,22H,2,4,6-10H2,1H3,(H2,21,24)/t12-/m0/s1.
What are the key properties of 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide?
1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 41099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).