N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide

C16H20F2N2O — CID 167779116

IUPACN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1(F)F)C1CCCCN1
InChIInChI=1S/C16H20F2N2O/c17-16(18)10-15(16,12-6-2-1-3-7-12)11-20-14(21)13-8-4-5-9-19-13/h1-3,6-7,13,19H,4-5,8-11H2,(H,20,21)
InChIKeyQMXBKBCCRSVASX-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.22
Rot. Bonds4

About N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide

N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide (PubChem CID 167779116) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide
PubChem CID167779116
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC NameN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1(F)F)C1CCCCN1
InChIInChI=1S/C16H20F2N2O/c17-16(18)10-15(16,12-6-2-1-3-7-12)11-20-14(21)13-8-4-5-9-19-13/h1-3,6-7,13,19H,4-5,8-11H2,(H,20,21)
InChIKeyQMXBKBCCRSVASX-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-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

N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
(2R)-N'-phenylpiperidine-2-carbohydrazide
CID 124707340

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide (CID 167779116) is N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide is O=C(NCC1(c2ccccc2)CC1(F)F)C1CCCCN1.
What is the InChIKey of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide?
The InChIKey is QMXBKBCCRSVASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-16(18)10-15(16,12-6-2-1-3-7-12)11-20-14(21)13-8-4-5-9-19-13/h1-3,6-7,13,19H,4-5,8-11H2,(H,20,21).
What are the key properties of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide?
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 167779116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).