N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide

C30H41N3O2 — CID 42698898

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCC(C)CN(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)C1CCCC1
InChIInChI=1S/C30H41N3O2/c1-24(2)23-33(30(35)27-15-9-10-16-27)18-17-28(34)31-19-21-32(22-20-31)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,24,27,29H,9-10,15-23H2,1-2H3
InChIKeyRLEUUYBPFUELNW-UHFFFAOYSA-N
MW475.68 g/mol
LogP4.99
Rot. Bonds9

About N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide (PubChem CID 42698898) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide
PubChem CID42698898
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCC(C)CN(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)C1CCCC1
InChIInChI=1S/C30H41N3O2/c1-24(2)23-33(30(35)27-15-9-10-16-27)18-17-28(34)31-19-21-32(22-20-31)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,24,27,29H,9-10,15-23H2,1-2H3
InChIKeyRLEUUYBPFUELNW-UHFFFAOYSA-N
XLogP4.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide with MolForge

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
ethyl 4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-cyclohexylamino]-4-oxobutanoate
CID 42699133
4-(4-benzhydrylpiperazin-1-yl)-N-ethyl-N-[(2R)-2-hydroxypropyl]-4-oxobutanamide
CID 166198099
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794938
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
(E)-N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 42699653
3-(1-adamantyl)-1-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-1-[(1S)-1-phenylethyl]urea
CID 98442072
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-2-phenylmethoxyacetamide
CID 42699481
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)nonanamide
CID 4310878
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
CID 70074590

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide (CID 42698898) is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide is CC(C)CN(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)C1CCCC1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The InChIKey is RLEUUYBPFUELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-24(2)23-33(30(35)27-15-9-10-16-27)18-17-28(34)31-19-21-32(22-20-31)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,24,27,29H,9-10,15-23H2,1-2H3.
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide has a molecular weight of 475.68 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 42698898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).