ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate

C18H25N3O3 — CID 133390714

IUPACethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-24-18(23)15-7-8-16(19-11-15)20-9-10-21(17(22)13-20)12-14-5-3-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3
InChIKeyISFYVXQAVJHGKY-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.10
Rot. Bonds5

About ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate (PubChem CID 133390714) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
PubChem CID133390714
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nameethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-24-18(23)15-7-8-16(19-11-15)20-9-10-21(17(22)13-20)12-14-5-3-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3
InChIKeyISFYVXQAVJHGKY-UHFFFAOYSA-N
XLogP2.10
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
1-[[(3R)-1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95200964
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
ethyl 6-[4-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38784345
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
ethyl 6-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133359448
ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506
ethyl 6-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 47025638

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate (CID 133390714) is ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)nc1.
What is the InChIKey of ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is ISFYVXQAVJHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-24-18(23)15-7-8-16(19-11-15)20-9-10-21(17(22)13-20)12-14-5-3-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3.
What are the key properties of ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133390714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).