N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide

C15H22N2O3 — CID 63362624

IUPACN-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCNC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-5-11(14(8-13)20-2)10-17-15(18)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyLDYIVHGEGNQMSL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 63362624) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID63362624
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCNC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-5-11(14(8-13)20-2)10-17-15(18)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyLDYIVHGEGNQMSL-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 63362624) is N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCNC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LDYIVHGEGNQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-6-5-11(14(8-13)20-2)10-17-15(18)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63362624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).