ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

C17H26N4O3 — CID 109225171

IUPACethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)NC(C)CC)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(3)19-16(22)14-10-15(12-18-11-14)20-6-8-21(9-7-20)17(23)24-5-2/h10-13H,4-9H2,1-3H3,(H,19,22)
InChIKeyWKYPSSOYZLQULK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.89
Rot. Bonds5

About ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109225171) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109225171
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)NC(C)CC)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(3)19-16(22)14-10-15(12-18-11-14)20-6-8-21(9-7-20)17(23)24-5-2/h10-13H,4-9H2,1-3H3,(H,19,22)
InChIKeyWKYPSSOYZLQULK-UHFFFAOYSA-N
XLogP1.89
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109102342
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109238366
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
ethyl 4-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238382
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
ethyl 4-[[5-(4-acetylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109231269
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109225171) is ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cncc(C(=O)NC(C)CC)c2)CC1.
What is the InChIKey of ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is WKYPSSOYZLQULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-13(3)19-16(22)14-10-15(12-18-11-14)20-6-8-21(9-7-20)17(23)24-5-2/h10-13H,4-9H2,1-3H3,(H,19,22).
What are the key properties of ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109225171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).