4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide

C15H23N3O3S — CID 163630065

IUPAC4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-11(12-7-9-18(10-8-12)22(2,20)21)17-15(19)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyHVIARYQVWWYGDH-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide

4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide (PubChem CID 163630065) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide
PubChem CID163630065
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-11(12-7-9-18(10-8-12)22(2,20)21)17-15(19)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyHVIARYQVWWYGDH-UHFFFAOYSA-N
XLogP1.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 119782446
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
CID 146193092
3,5-diamino-N-(1-cyclopropylethyl)benzamide
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4-amino-N-butan-2-ylbenzamide
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CID 9478716
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
CID 47138042
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide (CID 163630065) is 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide is CC(NC(=O)c1ccc(N)cc1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is HVIARYQVWWYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(12-7-9-18(10-8-12)22(2,20)21)17-15(19)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide?
4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 325.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 163630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).