(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C21H30FN3O2 — CID 95094005

IUPAC(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC1CCCCC1
InChIInChI=1S/C21H30FN3O2/c22-17-7-4-10-19(14-17)24-21(27)25-13-5-6-16(15-25)11-12-20(26)23-18-8-2-1-3-9-18/h4,7,10,14,16,18H,1-3,5-6,8-9,11-13,15H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyOZHFIIJOJICKLW-MRXNPFEDSA-N
MW375.49 g/mol
LogP4.30
Rot. Bonds5

About (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 95094005) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID95094005
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC1CCCCC1
InChIInChI=1S/C21H30FN3O2/c22-17-7-4-10-19(14-17)24-21(27)25-13-5-6-16(15-25)11-12-20(26)23-18-8-2-1-3-9-18/h4,7,10,14,16,18H,1-3,5-6,8-9,11-13,15H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyOZHFIIJOJICKLW-MRXNPFEDSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
CID 95093989
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 129422804
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 95094005) is (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC1CCCCC1.
What is the InChIKey of (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is OZHFIIJOJICKLW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-17-7-4-10-19(14-17)24-21(27)25-13-5-6-16(15-25)11-12-20(26)23-18-8-2-1-3-9-18/h4,7,10,14,16,18H,1-3,5-6,8-9,11-13,15H2,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95094005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).