N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide

C16H24ClN3O — CID 106635404

IUPACN-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC1CCCCN1
InChIInChI=1S/C16H24ClN3O/c1-20(12-13-6-4-5-10-18-13)11-9-16(21)19-15-8-3-2-7-14(15)17/h2-3,7-8,13,18H,4-6,9-12H2,1H3,(H,19,21)
InChIKeyUTXLAYMCINIDHJ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.74
Rot. Bonds6

About N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide

N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide (PubChem CID 106635404) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
PubChem CID106635404
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC1CCCCN1
InChIInChI=1S/C16H24ClN3O/c1-20(12-13-6-4-5-10-18-13)11-9-16(21)19-15-8-3-2-7-14(15)17/h2-3,7-8,13,18H,4-6,9-12H2,1H3,(H,19,21)
InChIKeyUTXLAYMCINIDHJ-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 104979253
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide (CID 106635404) is N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1ccccc1Cl)CC1CCCCN1.
What is the InChIKey of N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide?
The InChIKey is UTXLAYMCINIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(12-13-6-4-5-10-18-13)11-9-16(21)19-15-8-3-2-7-14(15)17/h2-3,7-8,13,18H,4-6,9-12H2,1H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide?
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide has a molecular weight of 309.84 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106635404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).