N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide

C22H34N4O2 — CID 119872755

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C22H34N4O2/c1-18(20-7-9-23-10-8-20)15-21(27)24-16-22(28)26-13-11-25(12-14-26)17-19-5-3-2-4-6-19/h2-6,18,20,23H,7-17H2,1H3,(H,24,27)
InChIKeyZPMXHIMABYZBAT-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119872755) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
PubChem CID119872755
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C22H34N4O2/c1-18(20-7-9-23-10-8-20)15-21(27)24-16-22(28)26-13-11-25(12-14-26)17-19-5-3-2-4-6-19/h2-6,18,20,23H,7-17H2,1H3,(H,24,27)
InChIKeyZPMXHIMABYZBAT-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119832674
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119834691
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
1-(4-benzylsulfonylpiperazin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119687248

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide (CID 119872755) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is ZPMXHIMABYZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-18(20-7-9-23-10-8-20)15-21(27)24-16-22(28)26-13-11-25(12-14-26)17-19-5-3-2-4-6-19/h2-6,18,20,23H,7-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 386.54 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).