(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C22H32FN3O — CID 95549285

IUPAC(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F
InChIInChI=1S/C22H32FN3O/c1-16-4-5-17(13-21(16)23)14-25-11-8-20(9-12-25)26-10-2-3-18(15-26)22(27)24-19-6-7-19/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyDJZSALPNNVNJCJ-GOSISDBHSA-N
MW373.52 g/mol
LogP3.09
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95549285) has the molecular formula C22H32FN3O and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95549285
Molecular FormulaC22H32FN3O
Molecular Weight373.52 g/mol
Exact Mass373.25
IUPAC Name(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F
InChIInChI=1S/C22H32FN3O/c1-16-4-5-17(13-21(16)23)14-25-11-8-20(9-12-25)26-10-2-3-18(15-26)22(27)24-19-6-7-19/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyDJZSALPNNVNJCJ-GOSISDBHSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]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-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56756459
(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 25295064
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782
(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95525314
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3R)-N-cyclopropyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549082

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 95549285) is (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is DJZSALPNNVNJCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32FN3O/c1-16-4-5-17(13-21(16)23)14-25-11-8-20(9-12-25)26-10-2-3-18(15-26)22(27)24-19-6-7-19/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95549285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).