trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide

C16H20N2O2 — CID 136582734

IUPACtrans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1=O
InChIInChI=1S/C16H20N2O2/c1-18-8-7-12(9-15(18)19)17-16(20)14-10-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,20)/t12?,13-,14+/m1/s1
InChIKeyQECPLQXZZHHLSI-IUZLNWEFSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds3

About trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 136582734) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID136582734
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nametrans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1=O
InChIInChI=1S/C16H20N2O2/c1-18-8-7-12(9-15(18)19)17-16(20)14-10-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,20)/t12?,13-,14+/m1/s1
InChIKeyQECPLQXZZHHLSI-IUZLNWEFSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 95325918
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide (CID 136582734) is trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide is CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1=O.
What is the InChIKey of trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QECPLQXZZHHLSI-IUZLNWEFSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-8-7-12(9-15(18)19)17-16(20)14-10-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,20)/t12?,13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 136582734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).