3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide

C17H24ClN3O2 — CID 120580275

IUPAC3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
SMILESCc1cc(C(=O)N2CCCCC2CNC(=O)CCN)ccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-12-10-13(5-6-15(12)18)17(23)21-9-3-2-4-14(21)11-20-16(22)7-8-19/h5-6,10,14H,2-4,7-9,11,19H2,1H3,(H,20,22)
InChIKeyOAKCWPPUAKBXLE-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.11
Rot. Bonds5

About 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120580275) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120580275
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
SMILESCc1cc(C(=O)N2CCCCC2CNC(=O)CCN)ccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-12-10-13(5-6-15(12)18)17(23)21-9-3-2-4-14(21)11-20-16(22)7-8-19/h5-6,10,14H,2-4,7-9,11,19H2,1H3,(H,20,22)
InChIKeyOAKCWPPUAKBXLE-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
3-amino-N-[[1-(4-butoxy-3-methoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579797
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
CID 120579645

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide (CID 120580275) is 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide is Cc1cc(C(=O)N2CCCCC2CNC(=O)CCN)ccc1Cl.
What is the InChIKey of 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is OAKCWPPUAKBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-10-13(5-6-15(12)18)17(23)21-9-3-2-4-14(21)11-20-16(22)7-8-19/h5-6,10,14H,2-4,7-9,11,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).