N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide

C12H21N3O2 — CID 112534506

IUPACN-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C1CC(NC(=O)CCN2CCCC2)CCN1
InChIInChI=1S/C12H21N3O2/c16-11(4-8-15-6-1-2-7-15)14-10-3-5-13-12(17)9-10/h10H,1-9H2,(H,13,17)(H,14,16)
InChIKeyAFSKOBDPSZHJRJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide

N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 112534506) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID112534506
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C1CC(NC(=O)CCN2CCCC2)CCN1
InChIInChI=1S/C12H21N3O2/c16-11(4-8-15-6-1-2-7-15)14-10-3-5-13-12(17)9-10/h10H,1-9H2,(H,13,17)(H,14,16)
InChIKeyAFSKOBDPSZHJRJ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-oxopyrrolidin-3-yl)-3-piperidin-1-ylpropanamide
CID 112534676
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
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3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
2-methyl-N-(2-oxopiperidin-4-yl)propanamide
CID 112534578
N-[(4S)-2-oxoazepan-4-yl]-4-phenylbutanamide
CID 18648130
(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
CID 66909977
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
N-(7-oxoazepan-4-yl)propanamide
CID 131010978

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide (CID 112534506) is N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide is O=C1CC(NC(=O)CCN2CCCC2)CCN1.
What is the InChIKey of N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is AFSKOBDPSZHJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(4-8-15-6-1-2-7-15)14-10-3-5-13-12(17)9-10/h10H,1-9H2,(H,13,17)(H,14,16).
What are the key properties of N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide?
N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-4-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 112534506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).