N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide

C17H24N2O2 — CID 113215638

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2(NC(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13-4-3-11-19(12-13)16(20)18-17(9-10-17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyBITVABZOUOOVPU-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide

N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide (PubChem CID 113215638) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
PubChem CID113215638
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2(NC(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13-4-3-11-19(12-13)16(20)18-17(9-10-17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyBITVABZOUOOVPU-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea
CID 7441712
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
CID 1444021
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-chlorophenyl)cyclopropyl]pyrrolidine-1-carboxamide
CID 110490806
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
CID 18524608
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802337

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide (CID 113215638) is N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide is COc1ccc(C2(NC(=O)N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is BITVABZOUOOVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-4-3-11-19(12-13)16(20)18-17(9-10-17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 113215638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).