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

C19H31N3O2 — CID 97080258

IUPAC(3S)-3-[(3aS,6aS)-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-OAGGEKHMSA-N
MW333.48 g/mol
LogP2.61
Rot. Bonds2

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

(3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 97080258) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID97080258
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3S)-3-[(3aS,6aS)-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-OAGGEKHMSA-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 (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (CID 97080258) is (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(3aS,6aS)-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 (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is DKGNHLNUMRULMN-OAGGEKHMSA-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 (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
(3S)-3-[(3aS,6aS)-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 (3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 97080258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).