1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide

C18H27N5O3 — CID 51999806

IUPAC1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCn1nc(C(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-22-15(20-17(25)13-5-3-2-4-6-13)11-14(21-22)18(26)23-9-7-12(8-10-23)16(19)24/h11-13H,2-10H2,1H3,(H2,19,24)(H,20,25)
InChIKeyXLIVIFBLPQPMLH-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.28
Rot. Bonds4

About 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide

1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 51999806) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
PubChem CID51999806
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCn1nc(C(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-22-15(20-17(25)13-5-3-2-4-6-13)11-14(21-22)18(26)23-9-7-12(8-10-23)16(19)24/h11-13H,2-10H2,1H3,(H2,19,24)(H,20,25)
InChIKeyXLIVIFBLPQPMLH-UHFFFAOYSA-N
XLogP1.28
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide (CID 51999806) is 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide is Cn1nc(C(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is XLIVIFBLPQPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-22-15(20-17(25)13-5-3-2-4-6-13)11-14(21-22)18(26)23-9-7-12(8-10-23)16(19)24/h11-13H,2-10H2,1H3,(H2,19,24)(H,20,25).
What are the key properties of 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 51999806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).