N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide

C26H34FN3O — CID 129105316

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C26H34FN3O/c27-25-9-5-4-8-24(25)23-13-18-30(19-14-23)26(31)28-15-10-21-11-16-29(17-12-21)20-22-6-2-1-3-7-22/h1-9,21,23H,10-20H2,(H,28,31)
InChIKeyQPOOWERVAHZVKL-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.02
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 129105316) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID129105316
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C26H34FN3O/c27-25-9-5-4-8-24(25)23-13-18-30(19-14-23)26(31)28-15-10-21-11-16-29(17-12-21)20-22-6-2-1-3-7-22/h1-9,21,23H,10-20H2,(H,28,31)
InChIKeyQPOOWERVAHZVKL-UHFFFAOYSA-N
XLogP5.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amperozide
CID 73333
Vestipitant
CID 9832383
Amperozide Hydrochloride
CID 73334
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(methylamino)piperidine-1-carboxamide
CID 53320128
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
[6-[3,5-bis(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 46224928
[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-diazinan-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 46224962

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide (CID 129105316) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is QPOOWERVAHZVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c27-25-9-5-4-8-24(25)23-13-18-30(19-14-23)26(31)28-15-10-21-11-16-29(17-12-21)20-22-6-2-1-3-7-22/h1-9,21,23H,10-20H2,(H,28,31).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 129105316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).