(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

C19H31N3O2 — CID 97080257

IUPAC(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@H]3C2)C1
InChIInChI=1S/C19H31N3O2/c23-18(22-11-14-5-3-6-15(14)12-22)16-7-4-10-21(13-16)19(24)20-17-8-1-2-9-17/h14-17H,1-13H2,(H,20,24)/t14-,15+,16-/m1/s1
InChIKeyDKGNHLNUMRULMN-OWCLPIDISA-N
MW333.48 g/mol
LogP2.61
Rot. Bonds2

About (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 97080257) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID97080257
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@H]3C2)C1
InChIInChI=1S/C19H31N3O2/c23-18(22-11-14-5-3-6-15(14)12-22)16-7-4-10-21(13-16)19(24)20-17-8-1-2-9-17/h14-17H,1-13H2,(H,20,24)/t14-,15+,16-/m1/s1
InChIKeyDKGNHLNUMRULMN-OWCLPIDISA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355521
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (CID 97080257) is (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@H]3C2)C1.
What is the InChIKey of (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is DKGNHLNUMRULMN-OWCLPIDISA-N. The full InChI is InChI=1S/C19H31N3O2/c23-18(22-11-14-5-3-6-15(14)12-22)16-7-4-10-21(13-16)19(24)20-17-8-1-2-9-17/h14-17H,1-13H2,(H,20,24)/t14-,15+,16-/m1/s1.
What are the key properties of (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 97080257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).