N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide

C15H22ClN3O — CID 43607404

IUPACN-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-11-3-4-12(9-14(11)16)18-15(20)10-19(2)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyPSQWPRASLGVXKI-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.27
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 43607404) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID43607404
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O/c1-11-3-4-12(9-14(11)16)18-15(20)10-19(2)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyPSQWPRASLGVXKI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119912537
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide (CID 43607404) is N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide is Cc1ccc(NC(=O)CN(C)C2CCNCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is PSQWPRASLGVXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11-3-4-12(9-14(11)16)18-15(20)10-19(2)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 43607404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).