N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C25H30ClN5O — CID 55687718

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30ClN5O/c1-25(2,3)21-15-23(31(29-21)17-18-7-5-4-6-8-18)28-24(32)19-11-13-30(14-12-19)22-10-9-20(26)16-27-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,28,32)
InChIKeyNVBDAGKLLWLKHW-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.13
Rot. Bonds5

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55687718) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55687718
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30ClN5O/c1-25(2,3)21-15-23(31(29-21)17-18-7-5-4-6-8-18)28-24(32)19-11-13-30(14-12-19)22-10-9-20(26)16-27-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,28,32)
InChIKeyNVBDAGKLLWLKHW-UHFFFAOYSA-N
XLogP5.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
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N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
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N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
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1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55687718) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NVBDAGKLLWLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c1-25(2,3)21-15-23(31(29-21)17-18-7-5-4-6-8-18)28-24(32)19-11-13-30(14-12-19)22-10-9-20(26)16-27-22/h4-10,15-16,19H,11-14,17H2,1-3H3,(H,28,32).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55687718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).