N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

C17H27N3O2 — CID 3615404

IUPACN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(N(C)C(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)19(3)15-8-10-20(11-9-15)17(21)18-14-6-5-7-16(12-14)22-4/h5-7,12-13,15H,8-11H2,1-4H3,(H,18,21)
InChIKeyDETXXKCEVQGBSX-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.03
Rot. Bonds4

About N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (PubChem CID 3615404) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
PubChem CID3615404
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(N(C)C(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)19(3)15-8-10-20(11-9-15)17(21)18-14-6-5-7-16(12-14)22-4/h5-7,12-13,15H,8-11H2,1-4H3,(H,18,21)
InChIKeyDETXXKCEVQGBSX-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (CID 3615404) is N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(N(C)C(C)C)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is DETXXKCEVQGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)19(3)15-8-10-20(11-9-15)17(21)18-14-6-5-7-16(12-14)22-4/h5-7,12-13,15H,8-11H2,1-4H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 3615404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).