(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C21H34N2O2 — CID 120633818

IUPAC(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C21H34N2O2/c1-16-14-18(10-12-22-16)20(24)23(15-21(2,3)4)13-11-17-6-8-19(25-5)9-7-17/h6-9,16,18,22H,10-15H2,1-5H3/t16-,18-/m0/s1
InChIKeyICQOMHPABRAREZ-WMZOPIPTSA-N
MW346.51 g/mol
LogP3.50
Rot. Bonds6

About (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120633818) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120633818
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C21H34N2O2/c1-16-14-18(10-12-22-16)20(24)23(15-21(2,3)4)13-11-17-6-8-19(25-5)9-7-17/h6-9,16,18,22H,10-15H2,1-5H3/t16-,18-/m0/s1
InChIKeyICQOMHPABRAREZ-WMZOPIPTSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620551
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119790202
(2S,5R)-5-(aminomethyl)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120793736
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
CID 120636375
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-[2,2-dimethylpropyl-[2-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 119135562
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120633818) is (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ICQOMHPABRAREZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16-14-18(10-12-22-16)20(24)23(15-21(2,3)4)13-11-17-6-8-19(25-5)9-7-17/h6-9,16,18,22H,10-15H2,1-5H3/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 346.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120633818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).