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

C17H29N5O — CID 97198787

IUPAC[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC(c3nncn3C)CC2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)22-8-4-5-15(11-22)17(23)21-9-6-14(7-10-21)16-19-18-12-20(16)3/h12-15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyTYKFQUYCGGSGRT-OAHLLOKOSA-N
MW319.45 g/mol
LogP1.64
Rot. Bonds3

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

[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone (PubChem CID 97198787) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
PubChem CID97198787
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC(c3nncn3C)CC2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)22-8-4-5-15(11-22)17(23)21-9-6-14(7-10-21)16-19-18-12-20(16)3/h12-15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyTYKFQUYCGGSGRT-OAHLLOKOSA-N
XLogP1.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 154895005
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467
piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 97277077
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 78982839
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone (CID 97198787) is [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone is CC(C)N1CCC[C@@H](C(=O)N2CCC(c3nncn3C)CC2)C1.
What is the InChIKey of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone?
The InChIKey is TYKFQUYCGGSGRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)22-8-4-5-15(11-22)17(23)21-9-6-14(7-10-21)16-19-18-12-20(16)3/h12-15H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone?
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 97198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).