cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide

C20H28N2O3 — CID 126808966

IUPACcis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-21(2)19(23)17-13-18(17)20(24)22-9-7-14(8-10-22)11-15-5-4-6-16(12-15)25-3/h4-6,12,14,17-18H,7-11,13H2,1-3H3/t17-,18+/m1/s1
InChIKeySMHPMJANIRTGPR-MSOLQXFVSA-N
MW344.45 g/mol
LogP2.20
Rot. Bonds5

About cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 126808966) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID126808966
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namecis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-21(2)19(23)17-13-18(17)20(24)22-9-7-14(8-10-22)11-15-5-4-6-16(12-15)25-3/h4-6,12,14,17-18H,7-11,13H2,1-3H3/t17-,18+/m1/s1
InChIKeySMHPMJANIRTGPR-MSOLQXFVSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109140261
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55898300
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 154861617
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
CID 86802047

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide (CID 126808966) is cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide is COc1cccc(CC2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)c1.
What is the InChIKey of cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is SMHPMJANIRTGPR-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21(2)19(23)17-13-18(17)20(24)22-9-7-14(8-10-22)11-15-5-4-6-16(12-15)25-3/h4-6,12,14,17-18H,7-11,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 126808966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).