(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C20H31N3O2 — CID 95707481

IUPAC(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-17-5-7-18(8-6-17)16-21-20(24)23-10-3-2-4-19(23)9-11-22-12-14-25-15-13-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyMMPULCCBKYYSTO-LJQANCHMSA-N
MW345.49 g/mol
LogP2.78
Rot. Bonds5

About (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 95707481) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
PubChem CID95707481
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-17-5-7-18(8-6-17)16-21-20(24)23-10-3-2-4-19(23)9-11-22-12-14-25-15-13-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyMMPULCCBKYYSTO-LJQANCHMSA-N
XLogP2.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 126441822
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451330
(2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451329
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 95707481) is (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1.
What is the InChIKey of (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is MMPULCCBKYYSTO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17-5-7-18(8-6-17)16-21-20(24)23-10-3-2-4-19(23)9-11-22-12-14-25-15-13-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95707481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).