2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid

C19H30N4O3 — CID 126448398

IUPAC2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCCC[C@H]2CCn2cccn2)CCCCC1
InChIInChI=1S/C19H30N4O3/c24-17(25)15-19(9-3-1-4-10-19)21-18(26)23-13-5-2-7-16(23)8-14-22-12-6-11-20-22/h6,11-12,16H,1-5,7-10,13-15H2,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKeyXEEPDUAATKNIGL-INIZCTEOSA-N
MW362.47 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid

2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid (PubChem CID 126448398) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid
PubChem CID126448398
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCCC[C@H]2CCn2cccn2)CCCCC1
InChIInChI=1S/C19H30N4O3/c24-17(25)15-19(9-3-1-4-10-19)21-18(26)23-13-5-2-7-16(23)8-14-22-12-6-11-20-22/h6,11-12,16H,1-5,7-10,13-15H2,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKeyXEEPDUAATKNIGL-INIZCTEOSA-N
XLogP3.01
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736
2-[1-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79851933
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
CID 94373970
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid (CID 126448398) is 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)N2CCCC[C@H]2CCn2cccn2)CCCCC1.
What is the InChIKey of 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid?
The InChIKey is XEEPDUAATKNIGL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-17(25)15-19(9-3-1-4-10-19)21-18(26)23-13-5-2-7-16(23)8-14-22-12-6-11-20-22/h6,11-12,16H,1-5,7-10,13-15H2,(H,21,26)(H,24,25)/t16-/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid?
2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 126448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).