N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

C16H22N2O2 — CID 53318242

IUPACN-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CCC[C@@H](NC(=O)C3CC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyIQYNIMPSBOGDGR-CYBMUJFWSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds4

About N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 53318242) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID53318242
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CCC[C@@H](NC(=O)C3CC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyIQYNIMPSBOGDGR-CYBMUJFWSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86966191
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
N-cyclobutyl-4-(3-methoxyphenyl)morpholine-2-carboxamide
CID 110254136

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (CID 53318242) is N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is COc1cccc(N2CCC[C@@H](NC(=O)C3CC3)C2)c1.
What is the InChIKey of N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IQYNIMPSBOGDGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-6-2-5-14(10-15)18-9-3-4-13(11-18)17-16(19)12-7-8-12/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53318242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).