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

C29H35N3O2 — CID 42698902

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCC(C)CN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C29H35N3O2/c1-23(2)21-32(29(34)27-14-8-12-25-11-6-7-13-26(25)27)16-15-28(33)31-19-17-30(18-20-31)22-24-9-4-3-5-10-24/h3-14,23H,15-22H2,1-2H3
InChIKeyUZQYXCPUGYKJFP-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.67
Rot. Bonds8

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (PubChem CID 42698902) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
PubChem CID42698902
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCC(C)CN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C29H35N3O2/c1-23(2)21-32(29(34)27-14-8-12-25-11-6-7-13-26(25)27)16-15-28(33)31-19-17-30(18-20-31)22-24-9-4-3-5-10-24/h3-14,23H,15-22H2,1-2H3
InChIKeyUZQYXCPUGYKJFP-UHFFFAOYSA-N
XLogP4.67
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide
CID 42703557
(4-benzylpiperazin-1-yl)-naphthalen-1-ylmethanethione
CID 3273462
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
CID 42700275
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42700280
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42699849

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (CID 42698902) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is CC(C)CN(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The InChIKey is UZQYXCPUGYKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-23(2)21-32(29(34)27-14-8-12-25-11-6-7-13-26(25)27)16-15-28(33)31-19-17-30(18-20-31)22-24-9-4-3-5-10-24/h3-14,23H,15-22H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42698902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).