N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide

C28H39N3O3 — CID 71026711

IUPACN-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCN1c2ccc(C(=O)N3CCCC(NC(=O)C4CC4)C3)cc2C2CC(C3CCOCC3)CCC21
InChIInChI=1S/C28H39N3O3/c1-30-25-8-6-20(18-10-13-34-14-11-18)15-23(25)24-16-21(7-9-26(24)30)28(33)31-12-2-3-22(17-31)29-27(32)19-4-5-19/h7,9,16,18-20,22-23,25H,2-6,8,10-15,17H2,1H3,(H,29,32)
InChIKeyZBKOWCCVJGZWEH-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.95
Rot. Bonds4

About N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide

N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 71026711) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID71026711
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESCN1c2ccc(C(=O)N3CCCC(NC(=O)C4CC4)C3)cc2C2CC(C3CCOCC3)CCC21
InChIInChI=1S/C28H39N3O3/c1-30-25-8-6-20(18-10-13-34-14-11-18)15-23(25)24-16-21(7-9-26(24)30)28(33)31-12-2-3-22(17-31)29-27(32)19-4-5-19/h7,9,16,18-20,22-23,25H,2-6,8,10-15,17H2,1H3,(H,29,32)
InChIKeyZBKOWCCVJGZWEH-UHFFFAOYSA-N
XLogP3.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
CID 25195676
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
(6R)-9-ethyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carboxylic acid
CID 71026650
2-[ethyl-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]amino]acetic acid
CID 71026610
tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
CID 159556903
[(3S)-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamic acid
CID 67249290
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124587947
N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 25195564
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512642
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide (CID 71026711) is N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide is CN1c2ccc(C(=O)N3CCCC(NC(=O)C4CC4)C3)cc2C2CC(C3CCOCC3)CCC21.
What is the InChIKey of N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZBKOWCCVJGZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-30-25-8-6-20(18-10-13-34-14-11-18)15-23(25)24-16-21(7-9-26(24)30)28(33)31-12-2-3-22(17-31)29-27(32)19-4-5-19/h7,9,16,18-20,22-23,25H,2-6,8,10-15,17H2,1H3,(H,29,32).
What are the key properties of N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?
N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-methyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71026711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).