4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide

C25H40N4O3 — CID 56501899

IUPAC4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)CC1
InChIInChI=1S/C25H40N4O3/c1-4-27(5-2)25(31)28-13-11-23(12-14-28)24(30)29(20-22-9-7-6-8-10-22)21(3)19-26-15-17-32-18-16-26/h6-10,21,23H,4-5,11-20H2,1-3H3
InChIKeyPBTFMFFCKRBTCW-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.91
Rot. Bonds8

About 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide

4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 56501899) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide
PubChem CID56501899
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)CC1
InChIInChI=1S/C25H40N4O3/c1-4-27(5-2)25(31)28-13-11-23(12-14-28)24(30)29(20-22-9-7-6-8-10-22)21(3)19-26-15-17-32-18-16-26/h6-10,21,23H,4-5,11-20H2,1-3H3
InChIKeyPBTFMFFCKRBTCW-UHFFFAOYSA-N
XLogP2.91
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56500966
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55430061
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide (CID 56501899) is 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)CC1.
What is the InChIKey of 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is PBTFMFFCKRBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-4-27(5-2)25(31)28-13-11-23(12-14-28)24(30)29(20-22-9-7-6-8-10-22)21(3)19-26-15-17-32-18-16-26/h6-10,21,23H,4-5,11-20H2,1-3H3.
What are the key properties of 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide?
4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 444.62 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56501899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).