N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide

C26H45N3O3 — CID 134089906

IUPACN-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide
SMILESCCC(C)C(NC(=O)CCC1CCCC1)C(=O)N1CCN(C(=O)C2CCCCC2)C(C)C1
InChIInChI=1S/C26H45N3O3/c1-4-19(2)24(27-23(30)15-14-21-10-8-9-11-21)26(32)28-16-17-29(20(3)18-28)25(31)22-12-6-5-7-13-22/h19-22,24H,4-18H2,1-3H3,(H,27,30)
InChIKeyUCSDXMAVHJHDKV-UHFFFAOYSA-N
MW447.66 g/mol
LogP4.13
Rot. Bonds8

About N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide

N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide (PubChem CID 134089906) has the molecular formula C26H45N3O3 and a molecular weight of 447.66 g/mol. Its IUPAC name is N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide
PubChem CID134089906
Molecular FormulaC26H45N3O3
Molecular Weight447.66 g/mol
Exact Mass447.35
IUPAC NameN-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide
SMILESCCC(C)C(NC(=O)CCC1CCCC1)C(=O)N1CCN(C(=O)C2CCCCC2)C(C)C1
InChIInChI=1S/C26H45N3O3/c1-4-19(2)24(27-23(30)15-14-21-10-8-9-11-21)26(32)28-16-17-29(20(3)18-28)25(31)22-12-6-5-7-13-22/h19-22,24H,4-18H2,1-3H3,(H,27,30)
InChIKeyUCSDXMAVHJHDKV-UHFFFAOYSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-cyclopentylpropanoylamino)-3-methylpentanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42724893
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 42707760
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42707755
1-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42707735
1-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-(2,6-dimethylphenyl)urea
CID 42707743
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 42706572
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42706571
N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 4587553
4-[2-(cyclobutanecarbonylamino)-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724981
1-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42708327
N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42724923
[(2R)-1-[(3R)-4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium
CID 6941297

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide (CID 134089906) is N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide is CCC(C)C(NC(=O)CCC1CCCC1)C(=O)N1CCN(C(=O)C2CCCCC2)C(C)C1.
What is the InChIKey of N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide?
The InChIKey is UCSDXMAVHJHDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O3/c1-4-19(2)24(27-23(30)15-14-21-10-8-9-11-21)26(32)28-16-17-29(20(3)18-28)25(31)22-12-6-5-7-13-22/h19-22,24H,4-18H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide?
N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide has a molecular weight of 447.66 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 134089906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).