1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide

C22H27FN2O — CID 166370243

IUPAC1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(CF)NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-18(16-23)24-21(26)22(20-10-6-3-7-11-20)12-14-25(15-13-22)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26)
InChIKeyRPNBHMRZPWPAMR-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.69
Rot. Bonds6

About 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide

1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide (PubChem CID 166370243) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
PubChem CID166370243
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(CF)NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-18(16-23)24-21(26)22(20-10-6-3-7-11-20)12-14-25(15-13-22)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26)
InChIKeyRPNBHMRZPWPAMR-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 125180420
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
CID 90830849
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide (CID 166370243) is 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide is CC(CF)NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is RPNBHMRZPWPAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-18(16-23)24-21(26)22(20-10-6-3-7-11-20)12-14-25(15-13-22)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide?
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 166370243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).