N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide

C17H26N4O3 — CID 134043905

IUPACN-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(2)19-15(22)12-20-7-9-21(10-8-20)17(23)14-5-6-16(24-3)18-11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,22)
InChIKeyJHJYMSPAODHVNB-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.76
Rot. Bonds6

About N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 134043905) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID134043905
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-13(2)19-15(22)12-20-7-9-21(10-8-20)17(23)14-5-6-16(24-3)18-11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,22)
InChIKeyJHJYMSPAODHVNB-UHFFFAOYSA-N
XLogP0.76
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 55885110
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95342710
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
N-butan-2-yl-2-[(6-methoxy-3-pyridinyl)amino]acetamide
CID 43199045
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 134043905) is N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is JHJYMSPAODHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-13(2)19-15(22)12-20-7-9-21(10-8-20)17(23)14-5-6-16(24-3)18-11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134043905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).