3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

C21H26N4O3 — CID 25477439

IUPAC3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C21H26N4O3/c26-20(22-10-14-25-11-2-9-23-25)17-3-1-4-19(15-17)28-18-7-12-24(13-8-18)21(27)16-5-6-16/h1-4,9,11,15-16,18H,5-8,10,12-14H2,(H,22,26)
InChIKeyYTBYPBNVICIUSB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.09
Rot. Bonds7

About 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 25477439) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID25477439
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C21H26N4O3/c26-20(22-10-14-25-11-2-9-23-25)17-3-1-4-19(15-17)28-18-7-12-24(13-8-18)21(27)16-5-6-16/h1-4,9,11,15-16,18H,5-8,10,12-14H2,(H,22,26)
InChIKeyYTBYPBNVICIUSB-UHFFFAOYSA-N
XLogP2.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
CID 138751637
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42099385
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 45172439
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
CID 45182476
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 25477439) is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is O=C(NCCn1cccn1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is YTBYPBNVICIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(22-10-14-25-11-2-9-23-25)17-3-1-4-19(15-17)28-18-7-12-24(13-8-18)21(27)16-5-6-16/h1-4,9,11,15-16,18H,5-8,10,12-14H2,(H,22,26).
What are the key properties of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 25477439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).