3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide

C15H21N3O — CID 119879126

IUPAC3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10,16H2,(H,17,19)
InChIKeyDFABSZKKVBXBGX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide

3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide (PubChem CID 119879126) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
PubChem CID119879126
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10,16H2,(H,17,19)
InChIKeyDFABSZKKVBXBGX-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The IUPAC name of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide (CID 119879126) is 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide is C=CCN1CCC(NC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The InChIKey is DFABSZKKVBXBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10,16H2,(H,17,19).
What are the key properties of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide has a molecular weight of 259.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide is sourced from PubChem (CID 119879126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).