N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide

C17H33N3O2 — CID 111106282

IUPACN-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(O)CN1CCN(CC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-16(21)13-19-9-11-20(12-10-19)14-17(22)18(2)15-7-5-4-6-8-15/h15-16,21H,3-14H2,1-2H3
InChIKeyDTFDHYIRPHHKIF-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.17
Rot. Bonds6

About N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 111106282) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
PubChem CID111106282
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(O)CN1CCN(CC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-16(21)13-19-9-11-20(12-10-19)14-17(22)18(2)15-7-5-4-6-8-15/h15-16,21H,3-14H2,1-2H3
InChIKeyDTFDHYIRPHHKIF-UHFFFAOYSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
2-[4-[(2R)-2-hydroxybutyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 111487415
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
CID 119876752
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63339686

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide (CID 111106282) is N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide is CCC(O)CN1CCN(CC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is DTFDHYIRPHHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-16(21)13-19-9-11-20(12-10-19)14-17(22)18(2)15-7-5-4-6-8-15/h15-16,21H,3-14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 311.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 111106282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).