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

C17H25N3O4S — CID 120580317

IUPAC3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)15-7-4-5-13(11-15)17(22)20-10-3-2-6-14(20)12-19-16(21)8-9-18/h4-5,7,11,14H,2-3,6,8-10,12,18H2,1H3,(H,19,21)
InChIKeyKYPZKYFMLPIBHX-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.55
Rot. Bonds6

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

3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120580317) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120580317
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)15-7-4-5-13(11-15)17(22)20-10-3-2-6-14(20)12-19-16(21)8-9-18/h4-5,7,11,14H,2-3,6,8-10,12,18H2,1H3,(H,19,21)
InChIKeyKYPZKYFMLPIBHX-UHFFFAOYSA-N
XLogP0.55
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579872
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide (CID 120580317) is 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide is CS(=O)(=O)c1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is KYPZKYFMLPIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-25(23,24)15-7-4-5-13(11-15)17(22)20-10-3-2-6-14(20)12-19-16(21)8-9-18/h4-5,7,11,14H,2-3,6,8-10,12,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).