9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide

C18H29N5O2 — CID 142371873

IUPAC9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
SMILESNC(=O)CCCCCCCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C18H29N5O2/c19-16-9-8-15(14-21-16)22-10-12-23(13-11-22)18(25)7-5-3-1-2-4-6-17(20)24/h8-9,14H,1-7,10-13H2,(H2,19,21)(H2,20,24)
InChIKeyGVSPUXNWWNJWKS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.53
Rot. Bonds9

About 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide

9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide (PubChem CID 142371873) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide.

Molecular Properties

Compound Name9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
PubChem CID142371873
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
SMILESNC(=O)CCCCCCCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C18H29N5O2/c19-16-9-8-15(14-21-16)22-10-12-23(13-11-22)18(25)7-5-3-1-2-4-6-17(20)24/h8-9,14H,1-7,10-13H2,(H2,19,21)(H2,20,24)
InChIKeyGVSPUXNWWNJWKS-UHFFFAOYSA-N
XLogP1.53
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
8-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-N-[1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-ylidene]-8-oxooctanamide
CID 142371894
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
6-[4-(6-amino-3-pyridinyl)piperazin-1-yl]hexan-1-ol
CID 107704033
N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
CID 162697665
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488

Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide?
The IUPAC name of 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide (CID 142371873) is 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide.
What is the SMILES notation for 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide?
The canonical SMILES for 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide is NC(=O)CCCCCCCC(=O)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide?
The InChIKey is GVSPUXNWWNJWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c19-16-9-8-15(14-21-16)22-10-12-23(13-11-22)18(25)7-5-3-1-2-4-6-17(20)24/h8-9,14H,1-7,10-13H2,(H2,19,21)(H2,20,24).
What are the key properties of 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide?
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide has a molecular weight of 347.46 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide is sourced from PubChem (CID 142371873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).