4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide

C20H31N3O3 — CID 136535287

IUPAC4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-5-12-26-19-7-6-17(15(2)13-19)14-21-20(25)23-10-8-18(9-11-23)22(4)16(3)24/h6-7,13,18H,5,8-12,14H2,1-4H3,(H,21,25)
InChIKeyGUQBLBBMBUBLPC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.94
Rot. Bonds6

About 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide

4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 136535287) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID136535287
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-5-12-26-19-7-6-17(15(2)13-19)14-21-20(25)23-10-8-18(9-11-23)22(4)16(3)24/h6-7,13,18H,5,8-12,14H2,1-4H3,(H,21,25)
InChIKeyGUQBLBBMBUBLPC-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 124850892
(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99834426
(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
CID 125138664
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443
(7S)-N-[(2-methyl-4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 99794171
3-(furan-3-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]propanamide
CID 119046393
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122571703
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 138044140

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (CID 136535287) is 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is CCCOc1ccc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)c(C)c1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is GUQBLBBMBUBLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-12-26-19-7-6-17(15(2)13-19)14-21-20(25)23-10-8-18(9-11-23)22(4)16(3)24/h6-7,13,18H,5,8-12,14H2,1-4H3,(H,21,25).
What are the key properties of 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 136535287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).