3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide

C22H25F2N3O2 — CID 53138155

IUPAC3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O2/c23-18-10-9-17(20(24)13-18)14-25-21(28)11-8-16-5-4-12-27(15-16)22(29)26-19-6-2-1-3-7-19/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14-15H2,(H,25,28)(H,26,29)
InChIKeyIPMLXBGLUZDDPI-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.31
Rot. Bonds6

About 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide

3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 53138155) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
PubChem CID53138155
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O2/c23-18-10-9-17(20(24)13-18)14-25-21(28)11-8-16-5-4-12-27(15-16)22(29)26-19-6-2-1-3-7-19/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14-15H2,(H,25,28)(H,26,29)
InChIKeyIPMLXBGLUZDDPI-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3S)-3-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093916
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
(3R)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidine-1-carboxamide
CID 95093989

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide (CID 53138155) is 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide is O=C(CCC1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccc(F)cc1F.
What is the InChIKey of 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is IPMLXBGLUZDDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-18-10-9-17(20(24)13-18)14-25-21(28)11-8-16-5-4-12-27(15-16)22(29)26-19-6-2-1-3-7-19/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14-15H2,(H,25,28)(H,26,29).
What are the key properties of 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 53138155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).