4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide

C16H25N3O — CID 38989093

IUPAC4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyHIIVEEDTMISUOQ-CYBMUJFWSA-N
MW275.40 g/mol
LogP2.26
Rot. Bonds5

About 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide

4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 38989093) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID38989093
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyHIIVEEDTMISUOQ-CYBMUJFWSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (CID 38989093) is 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@@H]1CCCCN1CCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is HIIVEEDTMISUOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 38989093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).