2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide

C13H23N3O2 — CID 54417038

IUPAC2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC2CCNCC2)C1=O
InChIInChI=1S/C13H23N3O2/c14-12(17)8-11-2-1-7-16(13(11)18)9-10-3-5-15-6-4-10/h10-11,15H,1-9H2,(H2,14,17)
InChIKeyVYEMBVNHHOMHHY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds4

About 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide

2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 54417038) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide
PubChem CID54417038
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC2CCNCC2)C1=O
InChIInChI=1S/C13H23N3O2/c14-12(17)8-11-2-1-7-16(13(11)18)9-10-3-5-15-6-4-10/h10-11,15H,1-9H2,(H2,14,17)
InChIKeyVYEMBVNHHOMHHY-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Piperidine-1-carbonyl)piperidin-2-one
CID 2912701
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
Ketone, piperidino 3-piperidyl
CID 218422
4-(Piperidine-1-carbonyl)piperidine hydrochloride
CID 17385515
1-(4-Methylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24702180
1-(4-Ethylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 24703734
2,9-Diazaspiro(5.5)undecan-1-one hydrochloride
CID 45074288
(3s)-Piperidin-3-Yl(Piperidin-1-Yl)methanone
CID 1532247
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
1-acetyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501895
1-(Piperidin-4-ylmethyl)piperidin-2-one
CID 4712033
1-(Piperidine-4-carbonyl)piperidine-4-carboxamide
CID 7183149

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide (CID 54417038) is 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(CC2CCNCC2)C1=O.
What is the InChIKey of 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is VYEMBVNHHOMHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12(17)8-11-2-1-7-16(13(11)18)9-10-3-5-15-6-4-10/h10-11,15H,1-9H2,(H2,14,17).
What are the key properties of 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide?
2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-1-(piperidin-4-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 54417038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).