4-amino-N-[(3S)-piperidin-3-yl]benzamide

C12H17N3O — CID 89225185

IUPAC4-amino-N-[(3S)-piperidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C12H17N3O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m0/s1
InChIKeyVZIPZITZXGZPAB-NSHDSACASA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds2

About 4-amino-N-[(3S)-piperidin-3-yl]benzamide

4-amino-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 89225185) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-amino-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID89225185
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-amino-N-[(3S)-piperidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C12H17N3O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m0/s1
InChIKeyVZIPZITZXGZPAB-NSHDSACASA-N
XLogP0.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-3-ylbenzamide
CID 22017045
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
N-piperidin-3-yl-4-pyrrol-1-ylbenzamide
CID 127187403
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
2-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 4-amino-N-[(3S)-piperidin-3-yl]benzamide (CID 89225185) is 4-amino-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-amino-N-[(3S)-piperidin-3-yl]benzamide is Nc1ccc(C(=O)N[C@H]2CCCNC2)cc1.
What is the InChIKey of 4-amino-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is VZIPZITZXGZPAB-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 4-amino-N-[(3S)-piperidin-3-yl]benzamide?
4-amino-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 219.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 89225185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).