(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide

C23H25FN2O2 — CID 92996658

IUPAC(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-15-11-17(7-10-21(15)24)18-12-19(22(27)25-20-8-9-20)14-26(13-18)23(28)16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyHZQSMVLYRUFFCP-RBUKOAKNSA-N
MW380.46 g/mol
LogP3.66
Rot. Bonds4

About (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide

(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996658) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996658
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-15-11-17(7-10-21(15)24)18-12-19(22(27)25-20-8-9-20)14-26(13-18)23(28)16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyHZQSMVLYRUFFCP-RBUKOAKNSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996685
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 98635565
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 92996817

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide (CID 92996658) is (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F.
What is the InChIKey of (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is HZQSMVLYRUFFCP-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15-11-17(7-10-21(15)24)18-12-19(22(27)25-20-8-9-20)14-26(13-18)23(28)16-5-3-2-4-6-16/h2-7,10-11,18-20H,8-9,12-14H2,1H3,(H,25,27)/t18-,19+/m0/s1.
What are the key properties of (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide?
(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).