2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

C16H26N4O2 — CID 167750901

IUPAC2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CCNCC1)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C16H26N4O2/c21-16(12-22-11-13-1-5-17-6-2-13)20-7-3-14(4-8-20)15-9-18-19-10-15/h9-10,13-14,17H,1-8,11-12H2,(H,18,19)
InChIKeyRJYKHSVBWFCNFW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.13
Rot. Bonds5

About 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 167750901) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID167750901
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CCNCC1)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C16H26N4O2/c21-16(12-22-11-13-1-5-17-6-2-13)20-7-3-14(4-8-20)15-9-18-19-10-15/h9-10,13-14,17H,1-8,11-12H2,(H,18,19)
InChIKeyRJYKHSVBWFCNFW-UHFFFAOYSA-N
XLogP1.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
CID 167945995
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
1-(piperidin-4-ylmethyl)-4-(1H-pyrazol-4-yl)piperidine
CID 120847965
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 95154601
2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 120798878
1-[(3S)-3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 95980745
N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053457
N-cyclopropyl-N-ethyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773464

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (CID 167750901) is 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is O=C(COCC1CCNCC1)N1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is RJYKHSVBWFCNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16(12-22-11-13-1-5-17-6-2-13)20-7-3-14(4-8-20)15-9-18-19-10-15/h9-10,13-14,17H,1-8,11-12H2,(H,18,19).
What are the key properties of 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167750901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).