N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide

C16H24N4O — CID 66203384

IUPACN-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H24N4O/c1-13(21)18-15-4-2-14(3-5-15)10-19-11-16(12-19)20-8-6-17-7-9-20/h2-5,16-17H,6-12H2,1H3,(H,18,21)
InChIKeyKTMZFEGOQBZFFH-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.73
Rot. Bonds4

About N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide

N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide (PubChem CID 66203384) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
PubChem CID66203384
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H24N4O/c1-13(21)18-15-4-2-14(3-5-15)10-19-11-16(12-19)20-8-6-17-7-9-20/h2-5,16-17H,6-12H2,1H3,(H,18,21)
InChIKeyKTMZFEGOQBZFFH-UHFFFAOYSA-N
XLogP0.73
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 134793355
N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
CID 50968007
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide (CID 66203384) is N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC(N3CCNCC3)C2)cc1.
What is the InChIKey of N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is KTMZFEGOQBZFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(21)18-15-4-2-14(3-5-15)10-19-11-16(12-19)20-8-6-17-7-9-20/h2-5,16-17H,6-12H2,1H3,(H,18,21).
What are the key properties of N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide?
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 66203384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).