N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide

C19H27N3O3S — CID 110346795

IUPACN-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide
SMILESO=C(CCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1cccs1
InChIInChI=1S/C19H27N3O3S/c23-16(17-7-4-14-26-17)8-9-18(24)21-10-12-22(13-11-21)19(25)20-15-5-2-1-3-6-15/h4,7,14-15H,1-3,5-6,8-13H2,(H,20,25)
InChIKeySKELWGIIKQJYBJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.90
Rot. Bonds5

About N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide

N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide (PubChem CID 110346795) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide
PubChem CID110346795
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide
SMILESO=C(CCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1cccs1
InChIInChI=1S/C19H27N3O3S/c23-16(17-7-4-14-26-17)8-9-18(24)21-10-12-22(13-11-21)19(25)20-15-5-2-1-3-6-15/h4,7,14-15H,1-3,5-6,8-13H2,(H,20,25)
InChIKeySKELWGIIKQJYBJ-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
N-cyclohexyl-4-[2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46381865
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 55470357
1-[(3R)-3-aminopyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119409157
N-methyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 51126384
4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide
CID 167863555
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46570598
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 110346797

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide (CID 110346795) is N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide is O=C(CCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1cccs1.
What is the InChIKey of N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide?
The InChIKey is SKELWGIIKQJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-16(17-7-4-14-26-17)8-9-18(24)21-10-12-22(13-11-21)19(25)20-15-5-2-1-3-6-15/h4,7,14-15H,1-3,5-6,8-13H2,(H,20,25).
What are the key properties of N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110346795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).