1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide

C16H25N3O2 — CID 80739961

IUPAC1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-4-6-15(19)16(20)18-3/h8-11,15H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyQZSRRJPDSIZVGL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.16
Rot. Bonds4

About 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide

1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 80739961) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide
PubChem CID80739961
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-4-6-15(19)16(20)18-3/h8-11,15H,4-7,17H2,1-3H3,(H,18,20)
InChIKeyQZSRRJPDSIZVGL-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide (CID 80739961) is 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is QZSRRJPDSIZVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-4-6-15(19)16(20)18-3/h8-11,15H,4-7,17H2,1-3H3,(H,18,20).
What are the key properties of 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide?
1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propan-2-yloxyphenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80739961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).