1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide

C20H29N3O3 — CID 43022671

IUPAC1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C20H29N3O3/c1-16(24)23-9-7-18(8-10-23)20(25)21-13-19-15-22(11-12-26-19)14-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25)
InChIKeyXIRBWRYKLIMAAA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.26
Rot. Bonds5

About 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 43022671) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID43022671
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C20H29N3O3/c1-16(24)23-9-7-18(8-10-23)20(25)21-13-19-15-22(11-12-26-19)14-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25)
InChIKeyXIRBWRYKLIMAAA-UHFFFAOYSA-N
XLogP1.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51671316
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide (CID 43022671) is 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)CC1.
What is the InChIKey of 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is XIRBWRYKLIMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(24)23-9-7-18(8-10-23)20(25)21-13-19-15-22(11-12-26-19)14-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25).
What are the key properties of 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43022671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).