(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide

C20H30N2O3 — CID 120639837

IUPAC(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(COC3CCOCC3)cc2)CCN1
InChIInChI=1S/C20H30N2O3/c1-15-12-18(6-9-21-15)20(23)22-13-16-2-4-17(5-3-16)14-25-19-7-10-24-11-8-19/h2-5,15,18-19,21H,6-14H2,1H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyWFKDSDCUTHHMQV-YJBOKZPZSA-N
MW346.47 g/mol
LogP2.39
Rot. Bonds6

About (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120639837) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120639837
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(COC3CCOCC3)cc2)CCN1
InChIInChI=1S/C20H30N2O3/c1-15-12-18(6-9-21-15)20(23)22-13-16-2-4-17(5-3-16)14-25-19-7-10-24-11-8-19/h2-5,15,18-19,21H,6-14H2,1H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyWFKDSDCUTHHMQV-YJBOKZPZSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634548
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane
CID 164904710
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 120639837) is (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2ccc(COC3CCOCC3)cc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is WFKDSDCUTHHMQV-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-12-18(6-9-21-15)20(23)22-13-16-2-4-17(5-3-16)14-25-19-7-10-24-11-8-19/h2-5,15,18-19,21H,6-14H2,1H3,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120639837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).