(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide

C23H35N3O — CID 118773757

IUPAC(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCN(CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12)C1CCCC1
InChIInChI=1S/C23H35N3O/c1-25(19-11-5-6-12-19)15-8-14-24-23(27)20-17-22(18-9-3-2-4-10-18)26-16-7-13-21(20)26/h2-4,9-10,19-22H,5-8,11-17H2,1H3,(H,24,27)/t20-,21+,22-/m0/s1
InChIKeyITAFIYRPNKUJJZ-BDTNDASRSA-N
MW369.55 g/mol
LogP3.59
Rot. Bonds7

About (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide

(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (PubChem CID 118773757) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
PubChem CID118773757
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCN(CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12)C1CCCC1
InChIInChI=1S/C23H35N3O/c1-25(19-11-5-6-12-19)15-8-14-24-23(27)20-17-22(18-9-3-2-4-10-18)26-16-7-13-21(20)26/h2-4,9-10,19-22H,5-8,11-17H2,1H3,(H,24,27)/t20-,21+,22-/m0/s1
InChIKeyITAFIYRPNKUJJZ-BDTNDASRSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (CID 118773757) is (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is CN(CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12)C1CCCC1.
What is the InChIKey of (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is ITAFIYRPNKUJJZ-BDTNDASRSA-N. The full InChI is InChI=1S/C23H35N3O/c1-25(19-11-5-6-12-19)15-8-14-24-23(27)20-17-22(18-9-3-2-4-10-18)26-16-7-13-21(20)26/h2-4,9-10,19-22H,5-8,11-17H2,1H3,(H,24,27)/t20-,21+,22-/m0/s1.
What are the key properties of (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 118773757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).