1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one

C15H25N3O2 — CID 82906952

IUPAC1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNCCCOC1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H25N3O2/c16-7-3-13-20-14-5-9-17(10-6-14)11-12-18-8-2-1-4-15(18)19/h1-2,4,8,14H,3,5-7,9-13,16H2
InChIKeyNFXNLPJUZRDNSY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.68
Rot. Bonds7

About 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82906952) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82906952
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNCCCOC1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C15H25N3O2/c16-7-3-13-20-14-5-9-17(10-6-14)11-12-18-8-2-1-4-15(18)19/h1-2,4,8,14H,3,5-7,9-13,16H2
InChIKeyNFXNLPJUZRDNSY-UHFFFAOYSA-N
XLogP0.68
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
3-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-4-yl]oxypropan-1-amine
CID 79736370
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79732216
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one (CID 82906952) is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one is NCCCOC1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is NFXNLPJUZRDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-7-3-13-20-14-5-9-17(10-6-14)11-12-18-8-2-1-4-15(18)19/h1-2,4,8,14H,3,5-7,9-13,16H2.
What are the key properties of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82906952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).