2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide

C15H22ClN3O2 — CID 61038393

IUPAC2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-3-2-12(16)8-11(14)9-18-13-4-6-19(7-5-13)10-15(17)20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H2,17,20)
InChIKeyBGNQWTXPJCYFHD-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide

2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 61038393) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID61038393
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-3-2-12(16)8-11(14)9-18-13-4-6-19(7-5-13)10-15(17)20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H2,17,20)
InChIKeyBGNQWTXPJCYFHD-UHFFFAOYSA-N
XLogP1.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]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-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
3-[(5-chloro-2-methoxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 166249845
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide (CID 61038393) is 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide is COc1ccc(Cl)cc1CNC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is BGNQWTXPJCYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-14-3-2-12(16)8-11(14)9-18-13-4-6-19(7-5-13)10-15(17)20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 61038393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).