(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid

C18H26N4O4 — CID 120537481

IUPAC(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1)NC1CCCCC1
InChIInChI=1S/C18H26N4O4/c23-16(20-14-6-2-1-3-7-14)12-21-11-13(10-19-21)17(24)22-9-5-4-8-15(22)18(25)26/h10-11,14-15H,1-9,12H2,(H,20,23)(H,25,26)/t15-/m1/s1
InChIKeyBRQUYQMKKNSGSD-OAHLLOKOSA-N
MW362.43 g/mol
LogP1.41
Rot. Bonds5

About (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120537481) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID120537481
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1)NC1CCCCC1
InChIInChI=1S/C18H26N4O4/c23-16(20-14-6-2-1-3-7-14)12-21-11-13(10-19-21)17(24)22-9-5-4-8-15(22)18(25)26/h10-11,14-15H,1-9,12H2,(H,20,23)(H,25,26)/t15-/m1/s1
InChIKeyBRQUYQMKKNSGSD-OAHLLOKOSA-N
XLogP1.41
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119633259
2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119519390
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
CID 119397411
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
CID 71974818
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid (CID 120537481) is (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid is O=C(Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1)NC1CCCCC1.
What is the InChIKey of (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is BRQUYQMKKNSGSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-16(20-14-6-2-1-3-7-14)12-21-11-13(10-19-21)17(24)22-9-5-4-8-15(22)18(25)26/h10-11,14-15H,1-9,12H2,(H,20,23)(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120537481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).