N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C14H27N3O — CID 104975687

IUPACN-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN[C@H](C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-11-3-5-13(6-4-11)16-14(18)10-17-8-7-15-12(2)9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?/m1/s1
InChIKeySFIJNMMHNGUCHH-OTTFEQOBSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975687) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975687
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN[C@H](C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-11-3-5-13(6-4-11)16-14(18)10-17-8-7-15-12(2)9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?/m1/s1
InChIKeySFIJNMMHNGUCHH-OTTFEQOBSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 64980306
N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976909
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 156836877
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 63248834
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976988
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119876672
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975687) is N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is CC1CCC(NC(=O)CN2CCN[C@H](C)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is SFIJNMMHNGUCHH-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-3-5-13(6-4-11)16-14(18)10-17-8-7-15-12(2)9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).