N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide

C15H28N4O2 — CID 102736385

IUPACN-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-13(20)17-12-14-2-7-18(8-3-14)9-4-15(21)19-10-5-16-6-11-19/h14,16H,2-12H2,1H3,(H,17,20)
InChIKeyPXWFARMLUMAORC-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.34
Rot. Bonds5

About N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736385) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736385
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-13(20)17-12-14-2-7-18(8-3-14)9-4-15(21)19-10-5-16-6-11-19/h14,16H,2-12H2,1H3,(H,17,20)
InChIKeyPXWFARMLUMAORC-UHFFFAOYSA-N
XLogP-0.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 102737013
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide (CID 102736385) is N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is PXWFARMLUMAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-13(20)17-12-14-2-7-18(8-3-14)9-4-15(21)19-10-5-16-6-11-19/h14,16H,2-12H2,1H3,(H,17,20).
What are the key properties of N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).