1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone

C16H28N6O2 — CID 167883829

IUPAC1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
SMILESCc1nnc(CN2CCN(C(=O)COC3CCNCC3)CC2)n1C
InChIInChI=1S/C16H28N6O2/c1-13-18-19-15(20(13)2)11-21-7-9-22(10-8-21)16(23)12-24-14-3-5-17-6-4-14/h14,17H,3-12H2,1-2H3
InChIKeyLHHANMZSKKVGIK-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.46
Rot. Bonds5

About 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone

1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone (PubChem CID 167883829) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
PubChem CID167883829
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
SMILESCc1nnc(CN2CCN(C(=O)COC3CCNCC3)CC2)n1C
InChIInChI=1S/C16H28N6O2/c1-13-18-19-15(20(13)2)11-21-7-9-22(10-8-21)16(23)12-24-14-3-5-17-6-4-14/h14,17H,3-12H2,1-2H3
InChIKeyLHHANMZSKKVGIK-UHFFFAOYSA-N
XLogP-0.46
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone with MolForge

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Related Compounds

4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63877557
ethyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxylate
CID 155980491
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
CID 63876242
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
1-[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 72916711
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 55205984
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperidin-4-yloxyethanone
CID 63876074
(4-chloro-1H-pyrrol-2-yl)-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56815832
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone (CID 167883829) is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone is Cc1nnc(CN2CCN(C(=O)COC3CCNCC3)CC2)n1C.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone?
The InChIKey is LHHANMZSKKVGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-13-18-19-15(20(13)2)11-21-7-9-22(10-8-21)16(23)12-24-14-3-5-17-6-4-14/h14,17H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone?
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone has a molecular weight of 336.44 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 167883829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).