N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide

C23H26F2N2O — CID 42868602

IUPACN-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCC(c2ccccc2)N(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C23H26F2N2O/c24-20-10-8-18(21(25)12-20)14-27-15-19(23(28)26-13-16-6-7-16)9-11-22(27)17-4-2-1-3-5-17/h1-5,8,10,12,16,19,22H,6-7,9,11,13-15H2,(H,26,28)
InChIKeyUKDJLWNSUODBCO-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.44
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide (PubChem CID 42868602) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
PubChem CID42868602
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC NameN-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCC(c2ccccc2)N(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C23H26F2N2O/c24-20-10-8-18(21(25)12-20)14-27-15-19(23(28)26-13-16-6-7-16)9-11-22(27)17-4-2-1-3-5-17/h1-5,8,10,12,16,19,22H,6-7,9,11,13-15H2,(H,26,28)
InChIKeyUKDJLWNSUODBCO-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
[1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42868603
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
1-[(2,4-difluorophenyl)methyl]-5-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 42865682
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
1-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-phenylpiperidine-3-carboxamide
CID 42865681
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849671
(3S,6R)-1-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92984856
(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 129426509

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide (CID 42868602) is N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide is O=C(NCC1CC1)C1CCC(c2ccccc2)N(Cc2ccc(F)cc2F)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The InChIKey is UKDJLWNSUODBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c24-20-10-8-18(21(25)12-20)14-27-15-19(23(28)26-13-16-6-7-16)9-11-22(27)17-4-2-1-3-5-17/h1-5,8,10,12,16,19,22H,6-7,9,11,13-15H2,(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).