(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide

C15H20N2O — CID 100816182

IUPAC(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCN1C[C@H](c2ccccc2)[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C15H20N2O/c1-17-9-13(11-5-3-2-4-6-11)14(10-17)15(18)16-12-7-8-12/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyRBQPCKGABHTGPA-ZIAGYGMSSA-N
MW244.34 g/mol
LogP1.61
Rot. Bonds3

About (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide

(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide (PubChem CID 100816182) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
PubChem CID100816182
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCN1C[C@H](c2ccccc2)[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C15H20N2O/c1-17-9-13(11-5-3-2-4-6-11)14(10-17)15(18)16-12-7-8-12/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyRBQPCKGABHTGPA-ZIAGYGMSSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 100816285
(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148434
(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 166828290
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 124857187
(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
CID 156839533
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide (CID 100816182) is (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide is CN1C[C@H](c2ccccc2)[C@H](C(=O)NC2CC2)C1.
What is the InChIKey of (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is RBQPCKGABHTGPA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-9-13(11-5-3-2-4-6-11)14(10-17)15(18)16-12-7-8-12/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide?
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 100816182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).