(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide

C19H29N3O2 — CID 119864239

IUPAC(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
SMILESCC1CN(Cc2cccc(CNC(=O)[C@H]3CCCCN3)c2)CCO1
InChIInChI=1S/C19H29N3O2/c1-15-13-22(9-10-24-15)14-17-6-4-5-16(11-17)12-21-19(23)18-7-2-3-8-20-18/h4-6,11,15,18,20H,2-3,7-10,12-14H2,1H3,(H,21,23)/t15?,18-/m1/s1
InChIKeyDXQCWSLXNAFUON-KPMSDPLLSA-N
MW331.46 g/mol
LogP1.67
Rot. Bonds5

About (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide

(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119864239) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
PubChem CID119864239
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
SMILESCC1CN(Cc2cccc(CNC(=O)[C@H]3CCCCN3)c2)CCO1
InChIInChI=1S/C19H29N3O2/c1-15-13-22(9-10-24-15)14-17-6-4-5-16(11-17)12-21-19(23)18-7-2-3-8-20-18/h4-6,11,15,18,20H,2-3,7-10,12-14H2,1H3,(H,21,23)/t15?,18-/m1/s1
InChIKeyDXQCWSLXNAFUON-KPMSDPLLSA-N
XLogP1.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide (CID 119864239) is (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide is CC1CN(Cc2cccc(CNC(=O)[C@H]3CCCCN3)c2)CCO1.
What is the InChIKey of (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is DXQCWSLXNAFUON-KPMSDPLLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-13-22(9-10-24-15)14-17-6-4-5-16(11-17)12-21-19(23)18-7-2-3-8-20-18/h4-6,11,15,18,20H,2-3,7-10,12-14H2,1H3,(H,21,23)/t15?,18-/m1/s1.
What are the key properties of (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide?
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119864239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).