3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

C15H21N3O2 — CID 64655886

IUPAC3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C15H21N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19)
InChIKeyDNAXPQZHMGEFMA-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.94
Rot. Bonds4

About 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (PubChem CID 64655886) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
PubChem CID64655886
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C15H21N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19)
InChIKeyDNAXPQZHMGEFMA-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 124755207
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (CID 64655886) is 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is CN1CC(NC(=O)CCc2ccc(N)cc2)CCC1=O.
What is the InChIKey of 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The InChIKey is DNAXPQZHMGEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 64655886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).