N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide

C15H22ClN3O — CID 114853385

IUPACN-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide
SMILESCNCc1cc(Cl)ccc1N1CCC(NC(C)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(20)18-14-5-7-19(8-6-14)15-4-3-13(16)9-12(15)10-17-2/h3-4,9,14,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWXJTUJPQJAIILV-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.16
Rot. Bonds4

About N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide

N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 114853385) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID114853385
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide
SMILESCNCc1cc(Cl)ccc1N1CCC(NC(C)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(20)18-14-5-7-19(8-6-14)15-4-3-13(16)9-12(15)10-17-2/h3-4,9,14,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWXJTUJPQJAIILV-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678
1-[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851889
1-[5-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]-N-methylmethanamine
CID 114852856
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chlorophenyl]-N-methylmethanamine
CID 102727327

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide (CID 114853385) is N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide is CNCc1cc(Cl)ccc1N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is WXJTUJPQJAIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(20)18-14-5-7-19(8-6-14)15-4-3-13(16)9-12(15)10-17-2/h3-4,9,14,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide?
N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 114853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).