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

C21H30N2O2 — CID 118762746

IUPAC(1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCOCC1(NC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CCCC1
InChIInChI=1S/C21H30N2O2/c1-25-15-21(11-5-6-12-21)22-20(24)17-14-19(16-8-3-2-4-9-16)23-13-7-10-18(17)23/h2-4,8-9,17-19H,5-7,10-15H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyWOPDANNWQVPFAZ-OTWHNJEPSA-N
MW342.48 g/mol
LogP3.29
Rot. Bonds5

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

(1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (PubChem CID 118762746) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
PubChem CID118762746
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCOCC1(NC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CCCC1
InChIInChI=1S/C21H30N2O2/c1-25-15-21(11-5-6-12-21)22-20(24)17-14-19(16-8-3-2-4-9-16)23-13-7-10-18(17)23/h2-4,8-9,17-19H,5-7,10-15H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyWOPDANNWQVPFAZ-OTWHNJEPSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S,8R)-N-(2-amino-2-oxoethyl)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118768835
ethyl (1S,3R,8R)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11889765
(1S,3S,8R)-N-[3-[cyclopentyl(methyl)amino]propyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118773757
(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134701145
(1S,3S,8R)-3-phenyl-N-[(1-propylpyrazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118769150
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 95204110
(1S,3S,8R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118761914
(1S,3S,8R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 136930406
(1S,3S,8R)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118795268
[4-(2-hydroxyethyl)piperazin-1-yl]-[(1S,3S,8R)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanone
CID 118789504
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-phenylcyclopropane-1-carboxamide
CID 114314615

Frequently Asked Questions

What is the IUPAC name of (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (CID 118762746) is (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is COCC1(NC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CCCC1.
What is the InChIKey of (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is WOPDANNWQVPFAZ-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-25-15-21(11-5-6-12-21)22-20(24)17-14-19(16-8-3-2-4-9-16)23-13-7-10-18(17)23/h2-4,8-9,17-19H,5-7,10-15H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1.
What are the key properties of (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
(1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,8R)-N-[1-(methoxymethyl)cyclopentyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 118762746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).