[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate

C15H27N3O3 — CID 175276230

IUPAC[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)14(20)21-18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12/h12,16H,4-11H2,1-3H3
InChIKeyTWEMFZMJLBCUQF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.63
Rot. Bonds2

About [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate

[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175276230) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID175276230
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)14(20)21-18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12/h12,16H,4-11H2,1-3H3
InChIKeyTWEMFZMJLBCUQF-UHFFFAOYSA-N
XLogP0.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174964171
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-(2-bromoacetyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174607593
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295

Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate (CID 175276230) is [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is TWEMFZMJLBCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)14(20)21-18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12/h12,16H,4-11H2,1-3H3.
What are the key properties of [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate?
[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175276230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).