4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide

C16H30N4O2 — CID 169021452

IUPAC4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCNCN1CCN(CNC(=O)C2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-13(21)14-3-5-15(6-4-14)16(22)18-12-20-9-7-19(8-10-20)11-17-2/h14-15,17H,3-12H2,1-2H3,(H,18,22)
InChIKeyCFBYULKVEPTMQY-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.25
Rot. Bonds6

About 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide

4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 169021452) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID169021452
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCNCN1CCN(CNC(=O)C2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-13(21)14-3-5-15(6-4-14)16(22)18-12-20-9-7-19(8-10-20)11-17-2/h14-15,17H,3-12H2,1-2H3,(H,18,22)
InChIKeyCFBYULKVEPTMQY-UHFFFAOYSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[[3,7-dimethyl-5-(methylaminomethyl)-1,3,5-triazocan-1-yl]methyl]cyclohexane-1-carboxamide
CID 170101410
4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
CID 169021448
N-(azetidin-1-ylmethyl)cycloheptanecarboxamide
CID 134274254
4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide
CID 82163276
2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
CID 168882321
4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
2-[4-(2-amino-2-oxoethyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;1-(4-methylcyclohexyl)ethanone
CID 177242208
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 63913213

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide (CID 169021452) is 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide is CNCN1CCN(CNC(=O)C2CCC(C(C)=O)CC2)CC1.
What is the InChIKey of 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is CFBYULKVEPTMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(21)14-3-5-15(6-4-14)16(22)18-12-20-9-7-19(8-10-20)11-17-2/h14-15,17H,3-12H2,1-2H3,(H,18,22).
What are the key properties of 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide?
4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 169021452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).