1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid

C20H31N3O3 — CID 86814563

IUPAC1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)C1CCC(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-8-6-14(7-9-16)18(24)22-10-4-5-17(13-22)23-12-15(11-21-23)19(25)26/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,25,26)
InChIKeySAKDCWDFBIUGRL-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid

1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 86814563) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID86814563
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)C1CCC(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-8-6-14(7-9-16)18(24)22-10-4-5-17(13-22)23-12-15(11-21-23)19(25)26/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,25,26)
InChIKeySAKDCWDFBIUGRL-UHFFFAOYSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
1-[(3S)-1-(3-methylfuran-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97332238
1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 75514798
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252996
1-[(3R)-1-[3-(5-methylfuran-2-yl)propanoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252992
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 131453126
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 102561011
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (CID 86814563) is 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid is CC(C)(C)C1CCC(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is SAKDCWDFBIUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)16-8-6-14(7-9-16)18(24)22-10-4-5-17(13-22)23-12-15(11-21-23)19(25)26/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,25,26).
What are the key properties of 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 361.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 86814563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).