N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide

C16H29N3O2 — CID 119577168

IUPACN-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC1CN(C(=O)CC(C)NC(=O)C2CCCCC2)CCN1
InChIInChI=1S/C16H29N3O2/c1-12(18-16(21)14-6-4-3-5-7-14)10-15(20)19-9-8-17-13(2)11-19/h12-14,17H,3-11H2,1-2H3,(H,18,21)
InChIKeyJWIYSMDXOFATJZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds4

About N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide

N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 119577168) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID119577168
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC1CN(C(=O)CC(C)NC(=O)C2CCCCC2)CCN1
InChIInChI=1S/C16H29N3O2/c1-12(18-16(21)14-6-4-3-5-7-14)10-15(20)19-9-8-17-13(2)11-19/h12-14,17H,3-11H2,1-2H3,(H,18,21)
InChIKeyJWIYSMDXOFATJZ-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,4-diazepan-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119415054
N-[4-(4-aminopiperidin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119373643
(3S,4S)-1-[3-(cyclohexanecarbonylamino)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112440
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119395625
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119543512
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119520379
N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 100703789
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide (CID 119577168) is N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide is CC1CN(C(=O)CC(C)NC(=O)C2CCCCC2)CCN1.
What is the InChIKey of N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is JWIYSMDXOFATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(18-16(21)14-6-4-3-5-7-14)10-15(20)19-9-8-17-13(2)11-19/h12-14,17H,3-11H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide?
N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 119577168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).