1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide

C20H33N3O — CID 141395777

IUPAC1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide
SMILESCCC1NCC2CC(N3CCC(C(=O)NC4(C)CCC4)CC3)C=C21
InChIInChI=1S/C20H33N3O/c1-3-18-17-12-16(11-15(17)13-21-18)23-9-5-14(6-10-23)19(24)22-20(2)7-4-8-20/h12,14-16,18,21H,3-11,13H2,1-2H3,(H,22,24)
InChIKeyKCTFSMUNGKEQPQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.45
Rot. Bonds4

About 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide

1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide (PubChem CID 141395777) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide
PubChem CID141395777
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide
SMILESCCC1NCC2CC(N3CCC(C(=O)NC4(C)CCC4)CC3)C=C21
InChIInChI=1S/C20H33N3O/c1-3-18-17-12-16(11-15(17)13-21-18)23-9-5-14(6-10-23)19(24)22-20(2)7-4-8-20/h12,14-16,18,21H,3-11,13H2,1-2H3,(H,22,24)
InChIKeyKCTFSMUNGKEQPQ-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
CID 153377376
but-2-ynyl 3-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73438470
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
N-(1-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 63005620
ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
CID 159666252
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
CID 142439240
6-methyl-N-(4-methyloxan-4-yl)piperidine-3-carboxamide
CID 113491136
N-(1-methylcyclobutyl)propanamide
CID 115766065
cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092072
N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
CID 156541846

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide (CID 141395777) is 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide is CCC1NCC2CC(N3CCC(C(=O)NC4(C)CCC4)CC3)C=C21.
What is the InChIKey of 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide?
The InChIKey is KCTFSMUNGKEQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-18-17-12-16(11-15(17)13-21-18)23-9-5-14(6-10-23)19(24)22-20(2)7-4-8-20/h12,14-16,18,21H,3-11,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide?
1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide has a molecular weight of 331.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide is sourced from PubChem (CID 141395777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).