cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide

C22H23N3O — CID 95774790

IUPACcis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c23-15-17-8-4-5-9-21(17)25-12-10-18(11-13-25)24-22(26)20-14-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H,24,26)/t19-,20-/m0/s1
InChIKeyLGIPDFBRHGJMGN-PMACEKPBSA-N
MW345.45 g/mol
LogP3.45
Rot. Bonds4

About cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 95774790) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID95774790
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Namecis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c23-15-17-8-4-5-9-21(17)25-12-10-18(11-13-25)24-22(26)20-14-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H,24,26)/t19-,20-/m0/s1
InChIKeyLGIPDFBRHGJMGN-PMACEKPBSA-N
XLogP3.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
2-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95142592
2-[4-[(1R,2S)-2-phenylcyclopropanecarbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95142598
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
CID 156839415
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
CID 56777931
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
1-[1-(2-cyanophenyl)piperidin-4-yl]-3-(4-cyclobutylphenyl)urea
CID 154877707
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 95774790) is cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide is N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LGIPDFBRHGJMGN-PMACEKPBSA-N. The full InChI is InChI=1S/C22H23N3O/c23-15-17-8-4-5-9-21(17)25-12-10-18(11-13-25)24-22(26)20-14-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H,24,26)/t19-,20-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95774790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).