N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide

C16H24N4O2 — CID 75507541

IUPACN-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(=O)c2cccnc2)CC1)C(C)C
InChIInChI=1S/C16H24N4O2/c1-4-20(13(2)3)16(22)19-10-8-18(9-11-19)15(21)14-6-5-7-17-12-14/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyLLUYDKMXPJYDEG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.69
Rot. Bonds3

About N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide

N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 75507541) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
PubChem CID75507541
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(=O)c2cccnc2)CC1)C(C)C
InChIInChI=1S/C16H24N4O2/c1-4-20(13(2)3)16(22)19-10-8-18(9-11-19)15(21)14-6-5-7-17-12-14/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyLLUYDKMXPJYDEG-UHFFFAOYSA-N
XLogP1.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
4-(3-aminobenzoyl)-N-ethyl-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 91660697
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238
(4-propan-2-ylsulfanylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802950
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide (CID 75507541) is N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide is CCN(C(=O)N1CCN(C(=O)c2cccnc2)CC1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is LLUYDKMXPJYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-20(13(2)3)16(22)19-10-8-18(9-11-19)15(21)14-6-5-7-17-12-14/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide?
N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 75507541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).