(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C22H33N3O — CID 25298624

IUPAC(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H33N3O/c26-22(23-20-8-9-20)19-7-4-13-25(17-19)21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2,(H,23,26)/t19-/m0/s1
InChIKeyUGFRQICBJGEBOS-IBGZPJMESA-N
MW355.53 g/mol
LogP2.68
Rot. Bonds6

About (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 25298624) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID25298624
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H33N3O/c26-22(23-20-8-9-20)19-7-4-13-25(17-19)21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2,(H,23,26)/t19-/m0/s1
InChIKeyUGFRQICBJGEBOS-IBGZPJMESA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-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

(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 25298624) is (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UGFRQICBJGEBOS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(23-20-8-9-20)19-7-4-13-25(17-19)21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 25298624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).