(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide

C20H31N3O2 — CID 97337261

IUPAC(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
SMILESCCN1CCC[C@H](CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-2-22-10-6-9-18(15-22)14-21-20(24)23-11-12-25-19(16-23)13-17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyAQYMQDPFSAVUMU-RTBURBONSA-N
MW345.49 g/mol
LogP2.37
Rot. Bonds5

About (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide

(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide (PubChem CID 97337261) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
PubChem CID97337261
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
SMILESCCN1CCC[C@H](CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-2-22-10-6-9-18(15-22)14-21-20(24)23-11-12-25-19(16-23)13-17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyAQYMQDPFSAVUMU-RTBURBONSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide (CID 97337261) is (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide is CCN1CCC[C@H](CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)C1.
What is the InChIKey of (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide?
The InChIKey is AQYMQDPFSAVUMU-RTBURBONSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-22-10-6-9-18(15-22)14-21-20(24)23-11-12-25-19(16-23)13-17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,21,24)/t18-,19-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide?
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 97337261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).