1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide

C16H25N3O2 — CID 103194379

IUPAC1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCCOc1cccc(N2CCCC(C(=O)NC)C2)c1N
InChIInChI=1S/C16H25N3O2/c1-3-10-21-14-8-4-7-13(15(14)17)19-9-5-6-12(11-19)16(20)18-2/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3,(H,18,20)
InChIKeyPHVZJUNGCSCIHK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.02
Rot. Bonds5

About 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194379) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194379
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCCOc1cccc(N2CCCC(C(=O)NC)C2)c1N
InChIInChI=1S/C16H25N3O2/c1-3-10-21-14-8-4-7-13(15(14)17)19-9-5-6-12(11-19)16(20)18-2/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3,(H,18,20)
InChIKeyPHVZJUNGCSCIHK-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.02
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

2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
CID 113416878
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
CID 63669903
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide (CID 103194379) is 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide is CCCOc1cccc(N2CCCC(C(=O)NC)C2)c1N.
What is the InChIKey of 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is PHVZJUNGCSCIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-21-14-8-4-7-13(15(14)17)19-9-5-6-12(11-19)16(20)18-2/h4,7-8,12H,3,5-6,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).