2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone

C14H27N3O — CID 175826777

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCN1CCC(N(C)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-15-10-6-13(7-11-15)16(2)12-14(18)17-8-4-3-5-9-17/h13H,3-12H2,1-2H3
InChIKeyULDPNDOZUMNLPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.02
Rot. Bonds3

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone

2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 175826777) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
PubChem CID175826777
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCN1CCC(N(C)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-15-10-6-13(7-11-15)16(2)12-14(18)17-8-4-3-5-9-17/h13H,3-12H2,1-2H3
InChIKeyULDPNDOZUMNLPY-UHFFFAOYSA-N
XLogP1.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone (CID 175826777) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone is CN1CCC(N(C)CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is ULDPNDOZUMNLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-10-6-13(7-11-15)16(2)12-14(18)17-8-4-3-5-9-17/h13H,3-12H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 175826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).