2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

C16H32N4O — CID 63899028

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H32N4O/c1-19-7-8-20(2)15(12-19)11-18-16(21)9-13-3-5-14(10-17)6-4-13/h13-15H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyNYIRCHNSMCTZHX-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.50
Rot. Bonds5

About 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (PubChem CID 63899028) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
PubChem CID63899028
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H32N4O/c1-19-7-8-20(2)15(12-19)11-18-16(21)9-13-3-5-14(10-17)6-4-13/h13-15H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyNYIRCHNSMCTZHX-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (CID 63899028) is 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is CN1CCN(C)C(CNC(=O)CC2CCC(CN)CC2)C1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The InChIKey is NYIRCHNSMCTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-19-7-8-20(2)15(12-19)11-18-16(21)9-13-3-5-14(10-17)6-4-13/h13-15H,3-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide has a molecular weight of 296.46 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is sourced from PubChem (CID 63899028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).