(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide

C19H31N3O2 — CID 96546479

IUPAC(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCCOC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1
InChIInChI=1S/C19H31N3O2/c1-5-24-14-16-8-7-11-22(13-16)19(23)20-17-9-6-10-18(12-17)21(4)15(2)3/h6,9-10,12,15-16H,5,7-8,11,13-14H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyQZMCVDKQNQCUES-INIZCTEOSA-N
MW333.48 g/mol
LogP3.81
Rot. Bonds6

About (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (PubChem CID 96546479) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
PubChem CID96546479
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCCOC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1
InChIInChI=1S/C19H31N3O2/c1-5-24-14-16-8-7-11-22(13-16)19(23)20-17-9-6-10-18(12-17)21(4)15(2)3/h6,9-10,12,15-16H,5,7-8,11,13-14H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyQZMCVDKQNQCUES-INIZCTEOSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
N-(3-methylphenyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
CID 90505574
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (CID 96546479) is (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is CCOC[C@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The InChIKey is QZMCVDKQNQCUES-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-24-14-16-8-7-11-22(13-16)19(23)20-17-9-6-10-18(12-17)21(4)15(2)3/h6,9-10,12,15-16H,5,7-8,11,13-14H2,1-4H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 96546479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).