N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

C22H25FN2O — CID 97014859

IUPACN-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)21(16-4-2-1-3-5-16)25-14-12-18(13-15-25)22(26)24-20-10-11-20/h1-9,18,20-21H,10-15H2,(H,24,26)/t21-/m1/s1
InChIKeyVXRYCAOXCGDDNR-OAQYLSRUSA-N
MW352.45 g/mol
LogP3.91
Rot. Bonds5

About N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 97014859) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID97014859
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)21(16-4-2-1-3-5-16)25-14-12-18(13-15-25)22(26)24-20-10-11-20/h1-9,18,20-21H,10-15H2,(H,24,26)/t21-/m1/s1
InChIKeyVXRYCAOXCGDDNR-OAQYLSRUSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
CID 115299896
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3896061
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
1-[1,3-benzothiazol-2-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5185879
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
1-[(4-fluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3961912
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (CID 97014859) is N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is VXRYCAOXCGDDNR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)21(16-4-2-1-3-5-16)25-14-12-18(13-15-25)22(26)24-20-10-11-20/h1-9,18,20-21H,10-15H2,(H,24,26)/t21-/m1/s1.
What are the key properties of N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).