1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one

C16H29N3O — CID 56717967

IUPAC1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C2CCCNC2)CC1
InChIInChI=1S/C16H29N3O/c20-16-4-2-9-19(16)12-7-14-5-10-18(11-6-14)15-3-1-8-17-13-15/h14-15,17H,1-13H2
InChIKeyUKBWHUVWGGVAJD-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one

1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 56717967) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
PubChem CID56717967
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C2CCCNC2)CC1
InChIInChI=1S/C16H29N3O/c20-16-4-2-9-19(16)12-7-14-5-10-18(11-6-14)15-3-1-8-17-13-15/h14-15,17H,1-13H2
InChIKeyUKBWHUVWGGVAJD-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
3-[4-(1-Piperidinylcarbonyl)-1-piperidinyl]-2,5-pyrrolidinedione
CID 2979075
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
4-(Piperidine-1-carbonyl)piperidine hydrochloride
CID 17385515
4-(Pyrrolidine-1-carbonyl)piperidine hydrochloride
CID 17490807
1-[(Piperidin-4-yl)methyl]pyrrolidin-2-one hydrochloride
CID 21241491
1-(Piperidin-3-yl)pyrrolidin-2-one
CID 24689384
1-(Piperidine-4-carbonyl)piperazine dihydrochloride
CID 45792104
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one (CID 56717967) is 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN(C2CCCNC2)CC1.
What is the InChIKey of 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is UKBWHUVWGGVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16-4-2-9-19(16)12-7-14-5-10-18(11-6-14)15-3-1-8-17-13-15/h14-15,17H,1-13H2.
What are the key properties of 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 279.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56717967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).