(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide

C18H27N3O2 — CID 99582464

IUPAC(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2C(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)17-10-5-6-11-21(17)18(23)19-15-8-7-9-16(12-15)20(4)14(3)22/h7-9,12-13,17H,5-6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1
InChIKeyDWRVJOQYXQXVQB-KRWDZBQOSA-N
MW317.43 g/mol
LogP3.71
Rot. Bonds3

About (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide

(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide (PubChem CID 99582464) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
PubChem CID99582464
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2C(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)17-10-5-6-11-21(17)18(23)19-15-8-7-9-16(12-15)20(4)14(3)22/h7-9,12-13,17H,5-6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1
InChIKeyDWRVJOQYXQXVQB-KRWDZBQOSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
CID 71846805
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
(2R)-N-(3-fluorophenyl)-2-[(1R)-1-hydroxypropyl]piperidine-1-carboxamide
CID 95628326
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
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
(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 95980216
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide (CID 99582464) is (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide is CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2C(C)C)c1.
What is the InChIKey of (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is DWRVJOQYXQXVQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)17-10-5-6-11-21(17)18(23)19-15-8-7-9-16(12-15)20(4)14(3)22/h7-9,12-13,17H,5-6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 99582464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).