(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone

C17H26N4O — CID 133267791

IUPAC(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(C3NNCC3C)CC2)ccn1
InChIInChI=1S/C17H26N4O/c1-3-15-10-14(4-7-18-15)17(22)21-8-5-13(6-9-21)16-12(2)11-19-20-16/h4,7,10,12-13,16,19-20H,3,5-6,8-9,11H2,1-2H3
InChIKeyDTFDYTFBXXBBBM-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.61
Rot. Bonds3

About (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone

(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone (PubChem CID 133267791) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone
PubChem CID133267791
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(C3NNCC3C)CC2)ccn1
InChIInChI=1S/C17H26N4O/c1-3-15-10-14(4-7-18-15)17(22)21-8-5-13(6-9-21)16-12(2)11-19-20-16/h4,7,10,12-13,16,19-20H,3,5-6,8-9,11H2,1-2H3
InChIKeyDTFDYTFBXXBBBM-UHFFFAOYSA-N
XLogP1.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
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(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(2-ethyl-4-pyridinyl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70708555
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112531128
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
2-ethylpyridine-4-carbonyl chloride
CID 45081393
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone (CID 133267791) is (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(C3NNCC3C)CC2)ccn1.
What is the InChIKey of (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The InChIKey is DTFDYTFBXXBBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-15-10-14(4-7-18-15)17(22)21-8-5-13(6-9-21)16-12(2)11-19-20-16/h4,7,10,12-13,16,19-20H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone?
(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 133267791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).