N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide

C15H26N4O — CID 114428161

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)c2cnn(C)c2C)C1
InChIInChI=1S/C15H26N4O/c1-5-12-6-7-16-14(8-12)15(20)18-10(2)13-9-17-19(4)11(13)3/h9-10,12,14,16H,5-8H2,1-4H3,(H,18,20)
InChIKeyVKXJWNVZZJGKBL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide (PubChem CID 114428161) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide
PubChem CID114428161
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)c2cnn(C)c2C)C1
InChIInChI=1S/C15H26N4O/c1-5-12-6-7-16-14(8-12)15(20)18-10(2)13-9-17-19(4)11(13)3/h9-10,12,14,16H,5-8H2,1-4H3,(H,18,20)
InChIKeyVKXJWNVZZJGKBL-UHFFFAOYSA-N
XLogP1.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5309687
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307720
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CID 5308018
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 5308631
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CID 19469143
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
CID 42958321
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-methylacetamide
CID 44037111
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-propylacetamide
CID 44037112
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CID 51104288

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide (CID 114428161) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)NC(C)c2cnn(C)c2C)C1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
The InChIKey is VKXJWNVZZJGKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12-6-7-16-14(8-12)15(20)18-10(2)13-9-17-19(4)11(13)3/h9-10,12,14,16H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).