(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide

C19H30N2O3 — CID 124850892

IUPAC(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC[C@H](COC)C2)c(C)c1
InChIInChI=1S/C19H30N2O3/c1-4-10-24-18-8-7-17(15(2)11-18)12-20-19(22)21-9-5-6-16(13-21)14-23-3/h7-8,11,16H,4-6,9-10,12-14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyRGJMKHMFWSPZNB-INIZCTEOSA-N
MW334.46 g/mol
LogP3.35
Rot. Bonds7

About (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide

(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 124850892) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID124850892
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC[C@H](COC)C2)c(C)c1
InChIInChI=1S/C19H30N2O3/c1-4-10-24-18-8-7-17(15(2)11-18)12-20-19(22)21-9-5-6-16(13-21)14-23-3/h7-8,11,16H,4-6,9-10,12-14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyRGJMKHMFWSPZNB-INIZCTEOSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 136535287
(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99834426
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 138044140
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
2-(3,4-dimethylphenoxy)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617181

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (CID 124850892) is (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is CCCOc1ccc(CNC(=O)N2CCC[C@H](COC)C2)c(C)c1.
What is the InChIKey of (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is RGJMKHMFWSPZNB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-10-24-18-8-7-17(15(2)11-18)12-20-19(22)21-9-5-6-16(13-21)14-23-3/h7-8,11,16H,4-6,9-10,12-14H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 124850892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).