[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C16H21N5O2 — CID 154737982

IUPAC[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2cccnc2OC)CC1
InChIInChI=1S/C16H21N5O2/c1-3-20-11-18-19-14(20)12-6-9-21(10-7-12)16(22)13-5-4-8-17-15(13)23-2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeyDLFTUTMICFPWGW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.72
Rot. Bonds4

About [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 154737982) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID154737982
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2cccnc2OC)CC1
InChIInChI=1S/C16H21N5O2/c1-3-20-11-18-19-14(20)12-6-9-21(10-7-12)16(22)13-5-4-8-17-15(13)23-2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeyDLFTUTMICFPWGW-UHFFFAOYSA-N
XLogP1.72
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 154737982) is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is CCn1cnnc1C1CCN(C(=O)c2cccnc2OC)CC1.
What is the InChIKey of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is DLFTUTMICFPWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-20-11-18-19-14(20)12-6-9-21(10-7-12)16(22)13-5-4-8-17-15(13)23-2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3.
What are the key properties of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 154737982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).