3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide

C20H31N3O4 — CID 72864498

IUPAC3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(C(=O)N(C)C)C2)c(OC)c1
InChIInChI=1S/C20H31N3O4/c1-22(2)20(25)23-11-5-6-15(14-23)7-10-19(24)21-13-16-8-9-17(26-3)12-18(16)27-4/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H,21,24)
InChIKeyGEJHQUFMSKNCHH-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.49
Rot. Bonds7

About 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide

3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 72864498) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID72864498
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(C(=O)N(C)C)C2)c(OC)c1
InChIInChI=1S/C20H31N3O4/c1-22(2)20(25)23-11-5-6-15(14-23)7-10-19(24)21-13-16-8-9-17(26-3)12-18(16)27-4/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H,21,24)
InChIKeyGEJHQUFMSKNCHH-UHFFFAOYSA-N
XLogP2.49
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
CID 72920063
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
CID 72893356
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
CID 72871700
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 45204302
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42289354
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(3-ethynylbenzoyl)piperidin-3-yl]propanamide
CID 45188774
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42214664

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide (CID 72864498) is 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide is COc1ccc(CNC(=O)CCC2CCCN(C(=O)N(C)C)C2)c(OC)c1.
What is the InChIKey of 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is GEJHQUFMSKNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-22(2)20(25)23-11-5-6-15(14-23)7-10-19(24)21-13-16-8-9-17(26-3)12-18(16)27-4/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H,21,24).
What are the key properties of 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide?
3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 72864498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).