(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide

C15H22N2O2 — CID 95342008

IUPAC(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1CCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-13(15(16)18)11-17(12)9-10-19-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,16,18)/t12-,13+/m1/s1
InChIKeyXMSCKXBUEPIWTI-OLZOCXBDSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds5

About (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide

(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 95342008) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID95342008
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1CCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-13(15(16)18)11-17(12)9-10-19-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,16,18)/t12-,13+/m1/s1
InChIKeyXMSCKXBUEPIWTI-OLZOCXBDSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
(3S,6S)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820120
(3S,6R)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820119
(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621689
1-[(4-butoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124354
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
CID 115873029
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide (CID 95342008) is (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1CCOc1ccccc1.
What is the InChIKey of (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is XMSCKXBUEPIWTI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-8-13(15(16)18)11-17(12)9-10-19-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,16,18)/t12-,13+/m1/s1.
What are the key properties of (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide?
(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95342008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).