3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide

C13H18N4O2 — CID 826549

IUPAC3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-1-4-15-10-11/h1-2,4,10H,3,5-9H2,(H2,14,18)
InChIKeyXKYHTIQYXRLDTB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.29
Rot. Bonds4

About 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide

3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 826549) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID826549
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-1-4-15-10-11/h1-2,4,10H,3,5-9H2,(H2,14,18)
InChIKeyXKYHTIQYXRLDTB-UHFFFAOYSA-N
XLogP-0.29
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

but-2-enedioic acid;3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 171150767
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide (CID 826549) is 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide is NC(=O)CCN1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is XKYHTIQYXRLDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-1-4-15-10-11/h1-2,4,10H,3,5-9H2,(H2,14,18).
What are the key properties of 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide?
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 262.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 826549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).