N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C28H38N4O2 — CID 50779627

IUPACN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H38N4O2/c1-22-18-23(2)20-25(19-22)28(34)32(15-10-27(33)31-16-11-29-12-17-31)26-8-13-30(14-9-26)21-24-6-4-3-5-7-24/h3-7,18-20,26,29H,8-17,21H2,1-2H3
InChIKeyBFPBONILMFAIKK-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.23
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779627) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779627
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H38N4O2/c1-22-18-23(2)20-25(19-22)28(34)32(15-10-27(33)31-16-11-29-12-17-31)26-8-13-30(14-9-26)21-24-6-4-3-5-7-24/h3-7,18-20,26,29H,8-17,21H2,1-2H3
InChIKeyBFPBONILMFAIKK-UHFFFAOYSA-N
XLogP3.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
3-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982772
N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058464
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779627) is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is BFPBONILMFAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-22-18-23(2)20-25(19-22)28(34)32(15-10-27(33)31-16-11-29-12-17-31)26-8-13-30(14-9-26)21-24-6-4-3-5-7-24/h3-7,18-20,26,29H,8-17,21H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 462.64 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).