(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide

C18H28N2O3 — CID 120621294

IUPAC(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-23-17-7-6-15(22-3)12-16(17)20-18(21)14-8-9-19-13(2)11-14/h6-7,12-14,19H,4-5,8-11H2,1-3H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyUAHQRXXVMTWDME-KBPBESRZSA-N
MW320.43 g/mol
LogP3.20
Rot. Bonds7

About (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120621294) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120621294
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-23-17-7-6-15(22-3)12-16(17)20-18(21)14-8-9-19-13(2)11-14/h6-7,12-14,19H,4-5,8-11H2,1-3H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyUAHQRXXVMTWDME-KBPBESRZSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855
1-[(2-butoxy-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102018

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide (CID 120621294) is (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide is CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is UAHQRXXVMTWDME-KBPBESRZSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-5-10-23-17-7-6-15(22-3)12-16(17)20-18(21)14-8-9-19-13(2)11-14/h6-7,12-14,19H,4-5,8-11H2,1-3H3,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120621294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).