[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone

C15H28N2O — CID 119337354

IUPAC[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
SMILESCC(C)CC1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)10-13-6-5-9-17(11-13)15(18)14-7-3-4-8-16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyCISNSEWEZDGQRJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone

[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 119337354) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
PubChem CID119337354
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
SMILESCC(C)CC1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)10-13-6-5-9-17(11-13)15(18)14-7-3-4-8-16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyCISNSEWEZDGQRJ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288828
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
CID 103870702
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
[3-(2-methylpropoxy)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119345316
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone (CID 119337354) is [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone is CC(C)CC1CCCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is CISNSEWEZDGQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)10-13-6-5-9-17(11-13)15(18)14-7-3-4-8-16-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone?
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 119337354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).