N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide

C18H35N3O2 — CID 71994764

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C18H35N3O2/c1-5-17(23-16-8-6-7-14(2)11-16)18(22)19-12-15-13-20(3)9-10-21(15)4/h14-17H,5-13H2,1-4H3,(H,19,22)
InChIKeyNPRPKGCZBBVCMA-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.72
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide (PubChem CID 71994764) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
PubChem CID71994764
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C18H35N3O2/c1-5-17(23-16-8-6-7-14(2)11-16)18(22)19-12-15-13-20(3)9-10-21(15)4/h14-17H,5-13H2,1-4H3,(H,19,22)
InChIKeyNPRPKGCZBBVCMA-UHFFFAOYSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 129427199
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
CID 99847067
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119396876
2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide
CID 71991515
2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535778
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
CID 71980227
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 63898166
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
CID 119528546
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119379471
4-[[2-(3-methylcyclohexyl)oxybutanoylamino]methyl]oxane-4-carboxylic acid
CID 120541972
1-[(2S)-2-[(1R,3S)-3-methylcyclohexyl]oxybutanoyl]piperidine-4-carboxylic acid
CID 125149705

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide (CID 71994764) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide is CCC(OC1CCCC(C)C1)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide?
The InChIKey is NPRPKGCZBBVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-5-17(23-16-8-6-7-14(2)11-16)18(22)19-12-15-13-20(3)9-10-21(15)4/h14-17H,5-13H2,1-4H3,(H,19,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide has a molecular weight of 325.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide is sourced from PubChem (CID 71994764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).