N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide

C18H27N5O3 — CID 5198140

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
SMILESCCC(C)N(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1cnccn1
InChIInChI=1S/C18H27N5O3/c1-4-14(2)23(18(26)16-13-19-6-7-20-16)8-5-17(25)22-11-9-21(10-12-22)15(3)24/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyYGVMZMICVXYDAA-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.80
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide (PubChem CID 5198140) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
PubChem CID5198140
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
SMILESCCC(C)N(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1cnccn1
InChIInChI=1S/C18H27N5O3/c1-4-14(2)23(18(26)16-13-19-6-7-20-16)8-5-17(25)22-11-9-21(10-12-22)15(3)24/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyYGVMZMICVXYDAA-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783403
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide (CID 5198140) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide is CCC(C)N(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide?
The InChIKey is YGVMZMICVXYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-4-14(2)23(18(26)16-13-19-6-7-20-16)8-5-17(25)22-11-9-21(10-12-22)15(3)24/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 5198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).