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

C18H28N4O2 — CID 97136809

IUPAC(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCN1C[C@H](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/t16-/m1/s1
InChIKeyDPCBGWPKILGYNC-MRXNPFEDSA-N
MW332.45 g/mol
LogP0.89
Rot. Bonds5

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

(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 97136809) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID97136809
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCN1C[C@H](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/t16-/m1/s1
InChIKeyDPCBGWPKILGYNC-MRXNPFEDSA-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

(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97119781
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 45219929
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 29087489
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
CID 166367740
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
CID 25295167
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310

Frequently Asked Questions

What is the IUPAC name of (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one (CID 97136809) is (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one is CCN1C[C@H](C(=O)N2CCN(CCn3cccc3)CC2)CCC1=O.
What is the InChIKey of (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is DPCBGWPKILGYNC-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one?
(5R)-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 (5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 97136809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).