1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide

C14H18N4O — CID 61296551

IUPAC1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(N)cc2C#N)CC1
InChIInChI=1S/C14H18N4O/c1-17-14(19)10-4-6-18(7-5-10)13-3-2-12(16)8-11(13)9-15/h2-3,8,10H,4-7,16H2,1H3,(H,17,19)
InChIKeyYXXNLVAKWDTFOV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds2

About 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide

1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 61296551) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
PubChem CID61296551
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(N)cc2C#N)CC1
InChIInChI=1S/C14H18N4O/c1-17-14(19)10-4-6-18(7-5-10)13-3-2-12(16)8-11(13)9-15/h2-3,8,10H,4-7,16H2,1H3,(H,17,19)
InChIKeyYXXNLVAKWDTFOV-UHFFFAOYSA-N
XLogP1.10
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide (CID 61296551) is 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(N)cc2C#N)CC1.
What is the InChIKey of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is YXXNLVAKWDTFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-14(19)10-4-6-18(7-5-10)13-3-2-12(16)8-11(13)9-15/h2-3,8,10H,4-7,16H2,1H3,(H,17,19).
What are the key properties of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide?
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 61296551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).