N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide

C14H27N3O — CID 1459544

IUPACN-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)12-14(18)15-11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyFJYJXAPLSWPXAC-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 1459544) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID1459544
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)12-14(18)15-11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyFJYJXAPLSWPXAC-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
N-(cyclohexylmethyl)-2-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]acetamide
CID 126829519
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47284297
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
2-[acetyl-[(4S)-1-[2-(cyclohexylmethylamino)-2-oxoethyl]azepan-4-yl]amino]acetic acid
CID 129325101
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 1459544) is N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is FJYJXAPLSWPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)12-14(18)15-11-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1459544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).