ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate

C18H22N4O3 — CID 87018917

IUPACethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(24)20-14-7-5-11-21(13-14)17(23)15-8-3-4-9-16(15)22-12-6-10-19-22/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3,(H,20,24)
InChIKeyMPOYGRCUZYLWHR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds4

About ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate

ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate (PubChem CID 87018917) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
PubChem CID87018917
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(24)20-14-7-5-11-21(13-14)17(23)15-8-3-4-9-16(15)22-12-6-10-19-22/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3,(H,20,24)
InChIKeyMPOYGRCUZYLWHR-UHFFFAOYSA-N
XLogP2.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
CID 75417290
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
CID 62083190
ethyl N-[(3R)-1-(2-chloro-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 94140906
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate (CID 87018917) is ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)c2ccccc2-n2cccn2)C1.
What is the InChIKey of ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate?
The InChIKey is MPOYGRCUZYLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-25-18(24)20-14-7-5-11-21(13-14)17(23)15-8-3-4-9-16(15)22-12-6-10-19-22/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3,(H,20,24).
What are the key properties of ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate?
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 87018917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).