(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide

C22H29N5O2 — CID 95548890

IUPAC(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3noc(-c4ccccc4)n3)CC2)C1
InChIInChI=1S/C22H29N5O2/c28-20(23-18-8-9-18)17-7-4-12-27(15-17)19-10-13-26(14-11-19)22-24-21(29-25-22)16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,23,28)/t17-/m1/s1
InChIKeyPFNNEGXKPKZWKP-QGZVFWFLSA-N
MW395.51 g/mol
LogP2.70
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95548890) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95548890
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3noc(-c4ccccc4)n3)CC2)C1
InChIInChI=1S/C22H29N5O2/c28-20(23-18-8-9-18)17-7-4-12-27(15-17)19-10-13-26(14-11-19)22-24-21(29-25-22)16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,23,28)/t17-/m1/s1
InChIKeyPFNNEGXKPKZWKP-QGZVFWFLSA-N
XLogP2.70
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)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-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3S)-N-(2-phenylethyl)-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571753
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 95548890) is (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3noc(-c4ccccc4)n3)CC2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is PFNNEGXKPKZWKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-20(23-18-8-9-18)17-7-4-12-27(15-17)19-10-13-26(14-11-19)22-24-21(29-25-22)16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,23,28)/t17-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95548890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).