N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H27N7O — CID 75476594

IUPACN-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1cnnc1C1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27N7O/c1-5-22-12-18-21-15(22)13-7-6-8-23(10-13)16(25)20-14-9-19-24(11-14)17(2,3)4/h9,11-13H,5-8,10H2,1-4H3,(H,20,25)
InChIKeyKHNSFRDCKDKVMN-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.66
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 75476594) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID75476594
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1cnnc1C1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27N7O/c1-5-22-12-18-21-15(22)13-7-6-8-23(10-13)16(25)20-14-9-19-24(11-14)17(2,3)4/h9,11-13H,5-8,10H2,1-4H3,(H,20,25)
InChIKeyKHNSFRDCKDKVMN-UHFFFAOYSA-N
XLogP2.66
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97258239
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
CID 75502081
(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344342
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97257410
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
1-[(3R)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-difluoro-2-(3-methyl-2-pyridinyl)ethanone
CID 124627547
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563629

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 75476594) is N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCn1cnnc1C1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is KHNSFRDCKDKVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-5-22-12-18-21-15(22)13-7-6-8-23(10-13)16(25)20-14-9-19-24(11-14)17(2,3)4/h9,11-13H,5-8,10H2,1-4H3,(H,20,25).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75476594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).