cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide

C19H27N3O2 — CID 95589019

IUPACcis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-12-3-4-14(9-13(12)2)16-10-17(16)19(24)21-15-5-7-22(8-6-15)11-18(20)23/h3-4,9,15-17H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17-/m1/s1
InChIKeyXIHDAFUDCWOCHQ-IAGOWNOFSA-N
MW329.44 g/mol
LogP1.47
Rot. Bonds5

About cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 95589019) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID95589019
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namecis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-12-3-4-14(9-13(12)2)16-10-17(16)19(24)21-15-5-7-22(8-6-15)11-18(20)23/h3-4,9,15-17H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17-/m1/s1
InChIKeyXIHDAFUDCWOCHQ-IAGOWNOFSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95590711
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 51098486
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide (CID 95589019) is cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide is Cc1ccc([C@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C.
What is the InChIKey of cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is XIHDAFUDCWOCHQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-3-4-14(9-13(12)2)16-10-17(16)19(24)21-15-5-7-22(8-6-15)11-18(20)23/h3-4,9,15-17H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95589019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).