N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide

C19H25N3O5 — CID 146379911

IUPACN-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1
InChIInChI=1S/C19H25N3O5/c1-3-18(24)20-13-4-6-22(7-5-13)10-19(25)21-15-9-17-16(26-11-27-17)8-14(15)12(2)23/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHIUCVXNPUQKWOE-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.55
Rot. Bonds6

About N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide

N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 146379911) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID146379911
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1
InChIInChI=1S/C19H25N3O5/c1-3-18(24)20-13-4-6-22(7-5-13)10-19(25)21-15-9-17-16(26-11-27-17)8-14(15)12(2)23/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHIUCVXNPUQKWOE-UHFFFAOYSA-N
XLogP1.55
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084866
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 148712456
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
CID 167605837
1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 146379903
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 655232
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223352
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725718
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2196705
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 166004955

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide (CID 146379911) is N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1.
What is the InChIKey of N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is HIUCVXNPUQKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-18(24)20-13-4-6-22(7-5-13)10-19(25)21-15-9-17-16(26-11-27-17)8-14(15)12(2)23/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 146379911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).