4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide

C24H32N4O2 — CID 60545892

IUPAC4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c29-24(28-14-12-27(13-15-28)20-22-4-2-1-3-5-22)25-23-8-6-21(7-9-23)10-11-26-16-18-30-19-17-26/h1-9H,10-20H2,(H,25,29)
InChIKeyVKEYYUILMIWKSA-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.91
Rot. Bonds6

About 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide

4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide (PubChem CID 60545892) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
PubChem CID60545892
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c29-24(28-14-12-27(13-15-28)20-22-4-2-1-3-5-22)25-23-8-6-21(7-9-23)10-11-26-16-18-30-19-17-26/h1-9H,10-20H2,(H,25,29)
InChIKeyVKEYYUILMIWKSA-UHFFFAOYSA-N
XLogP2.91
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
methane;4-(2-phenylethyl)morpholine
CID 143698819
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide (CID 60545892) is 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VKEYYUILMIWKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-24(28-14-12-27(13-15-28)20-22-4-2-1-3-5-22)25-23-8-6-21(7-9-23)10-11-26-16-18-30-19-17-26/h1-9H,10-20H2,(H,25,29).
What are the key properties of 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide?
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60545892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).