3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one

C16H30N2O — CID 60500884

IUPAC3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCC(N(C)CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-6-8-15(9-7-14)17(2)13-10-16(19)18-11-4-3-5-12-18/h14-15H,3-13H2,1-2H3
InChIKeyNTIBLCCATKPLIC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds4

About 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one

3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60500884) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID60500884
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCC(N(C)CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-6-8-15(9-7-14)17(2)13-10-16(19)18-11-4-3-5-12-18/h14-15H,3-13H2,1-2H3
InChIKeyNTIBLCCATKPLIC-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
1-(azepan-1-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
CID 109026751
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
1-[4-[[3-(azetidin-1-yl)-3-oxopropyl]-methylamino]piperidin-1-yl]-3-methylbut-3-en-1-one
CID 145317118
N-methyl-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 115578678
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274
3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 86983873
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
CID 110838688

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one (CID 60500884) is 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one is CC1CCC(N(C)CCC(=O)N2CCCCC2)CC1.
What is the InChIKey of 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is NTIBLCCATKPLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-6-8-15(9-7-14)17(2)13-10-16(19)18-11-4-3-5-12-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one?
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60500884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).