2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide

C17H24ClN3O2 — CID 77097712

IUPAC2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl
InChIInChI=1S/C17H24ClN3O2/c18-15-8-13(4-5-16(15)23-12-17(19)22)9-20-10-14(11-20)21-6-2-1-3-7-21/h4-5,8,14H,1-3,6-7,9-12H2,(H2,19,22)
InChIKeySCKPUMSBYAPTHR-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide

2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide (PubChem CID 77097712) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
PubChem CID77097712
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl
InChIInChI=1S/C17H24ClN3O2/c18-15-8-13(4-5-16(15)23-12-17(19)22)9-20-10-14(11-20)21-6-2-1-3-7-21/h4-5,8,14H,1-3,6-7,9-12H2,(H2,19,22)
InChIKeySCKPUMSBYAPTHR-UHFFFAOYSA-N
XLogP1.87
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
CID 135099507
2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
CID 135108092
1-[1-[(3-chloro-4-ethoxyphenyl)methyl]pyrrolidin-3-yl]piperidine
CID 77095203
2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
CID 131902059
2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
CID 56889989
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
CID 99938808
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151706

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide (CID 77097712) is 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide?
The InChIKey is SCKPUMSBYAPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-8-13(4-5-16(15)23-12-17(19)22)9-20-10-14(11-20)21-6-2-1-3-7-21/h4-5,8,14H,1-3,6-7,9-12H2,(H2,19,22).
What are the key properties of 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide?
2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide has a molecular weight of 337.85 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide is sourced from PubChem (CID 77097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).