piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H27N5O — CID 53192619

IUPACpiperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H27N5O/c1-12(2)21-11-18-19-15(21)13-5-8-20(9-6-13)16(22)14-4-3-7-17-10-14/h11-14,17H,3-10H2,1-2H3
InChIKeyHVTJFTFYBVRFAV-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.56
Rot. Bonds3

About piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192619) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192619
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Namepiperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H27N5O/c1-12(2)21-11-18-19-15(21)13-5-8-20(9-6-13)16(22)14-4-3-7-17-10-14/h11-14,17H,3-10H2,1-2H3
InChIKeyHVTJFTFYBVRFAV-UHFFFAOYSA-N
XLogP1.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 95111210
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 166406125
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone
CID 84735301
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192619) is piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CC(C)n1cnnc1C1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is HVTJFTFYBVRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(2)21-11-18-19-15(21)13-5-8-20(9-6-13)16(22)14-4-3-7-17-10-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 305.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).