1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

C16H25N5O2 — CID 127415975

IUPAC1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)Cn3ccnn3)CC2)C1
InChIInChI=1S/C16H25N5O2/c1-13-3-2-7-20(11-13)16(23)14-4-8-19(9-5-14)15(22)12-21-10-6-17-18-21/h6,10,13-14H,2-5,7-9,11-12H2,1H3
InChIKeyCBPPAYFVDLHNNH-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.78
Rot. Bonds3

About 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 127415975) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID127415975
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)Cn3ccnn3)CC2)C1
InChIInChI=1S/C16H25N5O2/c1-13-3-2-7-20(11-13)16(23)14-4-8-19(9-5-14)15(22)12-21-10-6-17-18-21/h6,10,13-14H,2-5,7-9,11-12H2,1H3
InChIKeyCBPPAYFVDLHNNH-UHFFFAOYSA-N
XLogP0.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
CID 79806253
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81487187
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119733147
2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87014867
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (CID 127415975) is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is CC1CCCN(C(=O)C2CCN(C(=O)Cn3ccnn3)CC2)C1.
What is the InChIKey of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is CBPPAYFVDLHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13-3-2-7-20(11-13)16(23)14-4-8-19(9-5-14)15(22)12-21-10-6-17-18-21/h6,10,13-14H,2-5,7-9,11-12H2,1H3.
What are the key properties of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 319.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 127415975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).