N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide

C24H33N5O2 — CID 3593463

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cnccn1
InChIInChI=1S/C24H33N5O2/c1-2-3-7-13-29(24(31)22-19-25-11-12-26-22)14-10-23(30)28-17-15-27(16-18-28)20-21-8-5-4-6-9-21/h4-6,8-9,11-12,19H,2-3,7,10,13-18,20H2,1H3
InChIKeyUUJMSJIAODSMPZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.84
Rot. Bonds10

About N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide (PubChem CID 3593463) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
PubChem CID3593463
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cnccn1
InChIInChI=1S/C24H33N5O2/c1-2-3-7-13-29(24(31)22-19-25-11-12-26-22)14-10-23(30)28-17-15-27(16-18-28)20-21-8-5-4-6-9-21/h4-6,8-9,11-12,19H,2-3,7,10,13-18,20H2,1H3
InChIKeyUUJMSJIAODSMPZ-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
CID 42700275
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
CID 4087025
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-(3-ethoxypropyl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783381
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-(2,6-dimethylphenyl)urea
CID 42700281
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253083

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide (CID 3593463) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide is CCCCCN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide?
The InChIKey is UUJMSJIAODSMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-2-3-7-13-29(24(31)22-19-25-11-12-26-22)14-10-23(30)28-17-15-27(16-18-28)20-21-8-5-4-6-9-21/h4-6,8-9,11-12,19H,2-3,7,10,13-18,20H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 3593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).