(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

C19H28N2O2 — CID 120623333

IUPAC(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)CCN1
InChIInChI=1S/C19H28N2O2/c1-15-13-16(7-10-20-15)18(22)21-14-19(8-11-23-12-9-19)17-5-3-2-4-6-17/h2-6,15-16,20H,7-14H2,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyJLERQXMLTTTZFC-HOTGVXAUSA-N
MW316.44 g/mol
LogP2.24
Rot. Bonds4

About (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 120623333) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID120623333
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)CCN1
InChIInChI=1S/C19H28N2O2/c1-15-13-16(7-10-20-15)18(22)21-14-19(8-11-23-12-9-19)17-5-3-2-4-6-17/h2-6,15-16,20H,7-14H2,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyJLERQXMLTTTZFC-HOTGVXAUSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (CID 120623333) is (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JLERQXMLTTTZFC-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-13-16(7-10-20-15)18(22)21-14-19(8-11-23-12-9-19)17-5-3-2-4-6-17/h2-6,15-16,20H,7-14H2,1H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.24, 4 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-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).