(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone

C14H27N3O — CID 118688738

IUPAC(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)N1CCCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-9-5-4-6-12(17)13(18)16-10-7-15-8-11-16/h12,15H,4-11H2,1-3H3
InChIKeyJYZXUTYSBVAYJF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds1

About (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone

(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone (PubChem CID 118688738) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone
PubChem CID118688738
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)N1CCCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-9-5-4-6-12(17)13(18)16-10-7-15-8-11-16/h12,15H,4-11H2,1-3H3
InChIKeyJYZXUTYSBVAYJF-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone
CID 154338624
1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide
CID 58877794
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
1-tert-butylpyrrolidine-2-carbonyl fluoride
CID 87646722
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
CID 175527976
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone (CID 118688738) is (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone is CC(C)(C)N1CCCCC1C(=O)N1CCNCC1.
What is the InChIKey of (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone?
The InChIKey is JYZXUTYSBVAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)17-9-5-4-6-12(17)13(18)16-10-7-15-8-11-16/h12,15H,4-11H2,1-3H3.
What are the key properties of (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone?
(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 118688738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).