(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone

C13H24N2O — CID 114422546

IUPAC(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-14-12(8-10)13(16)15-7-3-4-11(2)9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyYLIWDPJCACZFFG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds1

About (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone

(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone (PubChem CID 114422546) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
PubChem CID114422546
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-14-12(8-10)13(16)15-7-3-4-11(2)9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyYLIWDPJCACZFFG-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 114423833
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 114424447
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224
(2,6-dimethylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422691
4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114422685

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone (CID 114422546) is (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone is CC1CCNC(C(=O)N2CCCC(C)C2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
The InChIKey is YLIWDPJCACZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-5-6-14-12(8-10)13(16)15-7-3-4-11(2)9-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone?
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).