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

C16H22N2O2 — CID 51003387

IUPACN-[(3S)-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-/m0/s1
InChIKeyIQYNIMPSBOGDGR-ZDUSSCGKSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds4

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

N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 51003387) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID51003387
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3S)-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-/m0/s1
InChIKeyIQYNIMPSBOGDGR-ZDUSSCGKSA-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

N-(3-methoxyphenyl)piperazine
CID 81430
Ucm 793
CID 24750192
N-(3-methoxyphenyl)pivalamide
CID 546358
Ucm1014
CID 121231413
Quinoxalinone deriv. 6l
CID 5327802
AAE-M-PBP-amine
CID 24763223
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide (CID 51003387) is N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is COc1cccc(N2CCC[C@H](NC(=O)C3CC3)C2)c1.
What is the InChIKey of N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IQYNIMPSBOGDGR-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-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-[(3S)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51003387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).