3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide

C16H24ClN3O — CID 114961218

IUPAC3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1CN
InChIInChI=1S/C16H24ClN3O/c1-12-5-7-20(11-13(12)10-18)8-6-16(21)19-15-4-2-3-14(17)9-15/h2-4,9,12-13H,5-8,10-11,18H2,1H3,(H,19,21)
InChIKeyYORMAUJECLOFEQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.59
Rot. Bonds5

About 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide

3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide (PubChem CID 114961218) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
PubChem CID114961218
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1CN
InChIInChI=1S/C16H24ClN3O/c1-12-5-7-20(11-13(12)10-18)8-6-16(21)19-15-4-2-3-14(17)9-15/h2-4,9,12-13H,5-8,10-11,18H2,1H3,(H,19,21)
InChIKeyYORMAUJECLOFEQ-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
3-[(4aR,8aR)-7-acetyl-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-N-(3-chlorophenyl)propanamide
CID 91841580
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide (CID 114961218) is 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide is CC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1CN.
What is the InChIKey of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide?
The InChIKey is YORMAUJECLOFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-5-7-20(11-13(12)10-18)8-6-16(21)19-15-4-2-3-14(17)9-15/h2-4,9,12-13H,5-8,10-11,18H2,1H3,(H,19,21).
What are the key properties of 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide?
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 114961218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).