(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

C18H28N2O2 — CID 120622085

IUPAC(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-12(2)22-17-7-5-6-15(11-17)14(4)20-18(21)16-8-9-19-13(3)10-16/h5-7,11-14,16,19H,8-10H2,1-4H3,(H,20,21)/t13-,14?,16-/m0/s1
InChIKeyQBSGFRPSCONEHG-SFIRGFGWSA-N
MW304.43 g/mol
LogP3.04
Rot. Bonds5

About (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 120622085) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID120622085
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-12(2)22-17-7-5-6-15(11-17)14(4)20-18(21)16-8-9-19-13(3)10-16/h5-7,11-14,16,19H,8-10H2,1-4H3,(H,20,21)/t13-,14?,16-/m0/s1
InChIKeyQBSGFRPSCONEHG-SFIRGFGWSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (CID 120622085) is (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)c1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QBSGFRPSCONEHG-SFIRGFGWSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)22-17-7-5-6-15(11-17)14(4)20-18(21)16-8-9-19-13(3)10-16/h5-7,11-14,16,19H,8-10H2,1-4H3,(H,20,21)/t13-,14?,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).