[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone

C14H27N3O — CID 103813273

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCC(C)CN1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)11-16-7-9-17(10-8-16)14(18)13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyAILXIHRRGJRNJL-ZDUSSCGKSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds3

About [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone

[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 103813273) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID103813273
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCC(C)CN1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)11-16-7-9-17(10-8-16)14(18)13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyAILXIHRRGJRNJL-ZDUSSCGKSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259978
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone (CID 103813273) is [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone is CC(C)CN1CCN(C(=O)[C@@H]2CCCCN2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is AILXIHRRGJRNJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)11-16-7-9-17(10-8-16)14(18)13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 103813273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).