3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide

C18H26ClN3O2 — CID 120579881

IUPAC3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
SMILESCC(C(=O)N1CCCCC1CNC(=O)CCN)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-13(14-5-4-6-15(19)11-14)18(24)22-10-3-2-7-16(22)12-21-17(23)8-9-20/h4-6,11,13,16H,2-3,7-10,12,20H2,1H3,(H,21,23)
InChIKeyLDBWTHRYIIEKTP-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120579881) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
PubChem CID120579881
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
SMILESCC(C(=O)N1CCCCC1CNC(=O)CCN)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-13(14-5-4-6-15(19)11-14)18(24)22-10-3-2-7-16(22)12-21-17(23)8-9-20/h4-6,11,13,16H,2-3,7-10,12,20H2,1H3,(H,21,23)
InChIKeyLDBWTHRYIIEKTP-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579027
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120580221
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide (CID 120579881) is 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide is CC(C(=O)N1CCCCC1CNC(=O)CCN)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is LDBWTHRYIIEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-13(14-5-4-6-15(19)11-14)18(24)22-10-3-2-7-16(22)12-21-17(23)8-9-20/h4-6,11,13,16H,2-3,7-10,12,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 351.88 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).