1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one

C18H28N4O2 — CID 72897849

IUPAC1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CCC1=O
InChIInChI=1S/C18H28N4O2/c1-2-21-15-16(5-6-17(21)23)18(24)22-13-11-20(12-14-22)10-9-19-7-3-4-8-19/h3-4,7-8,16H,2,5-6,9-15H2,1H3
InChIKeyDPCBGWPKILGYNC-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.89
Rot. Bonds5

About 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one

1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 72897849) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID72897849
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CCC1=O
InChIInChI=1S/C18H28N4O2/c1-2-21-15-16(5-6-17(21)23)18(24)22-13-11-20(12-14-22)10-9-19-7-3-4-8-19/h3-4,7-8,16H,2,5-6,9-15H2,1H3
InChIKeyDPCBGWPKILGYNC-UHFFFAOYSA-N
XLogP0.89
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46343142
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CID 46343155
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CID 70713159
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CID 70726233
CID 70726233
CID 70780485
CID 70780485
CID 70787307
CID 70787307
CID 72869374
CID 72869374
CID 72891432
CID 72891432
CID 72909181
CID 72909181
CID 72936372
CID 72936372
CID 56886302
CID 56886302
CID 72845943
CID 72845943

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one (CID 72897849) is 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one is CCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CCC1=O.
What is the InChIKey of 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is DPCBGWPKILGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21-15-16(5-6-17(21)23)18(24)22-13-11-20(12-14-22)10-9-19-7-3-4-8-19/h3-4,7-8,16H,2,5-6,9-15H2,1H3.
What are the key properties of 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 72897849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).