2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide

C15H19N3O2 — CID 90595833

IUPAC2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCN(c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-14-7-10-18(11-8-14)13-4-2-12(3-5-13)17-15(19)6-9-16/h2-5,14H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyYTHNGYKFVGJZNC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds4

About 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide

2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 90595833) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID90595833
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCN(c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-14-7-10-18(11-8-14)13-4-2-12(3-5-13)17-15(19)6-9-16/h2-5,14H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyYTHNGYKFVGJZNC-UHFFFAOYSA-N
XLogP2.15
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
2-cyano-N-[4-(4-pyrrol-1-ylpiperidin-1-yl)phenyl]acetamide
CID 168523081
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 168522189
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-2-cyanoacetamide
CID 168521277
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90595882
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide (CID 90595833) is 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide is COC1CCN(c2ccc(NC(=O)CC#N)cc2)CC1.
What is the InChIKey of 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is YTHNGYKFVGJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-14-7-10-18(11-8-14)13-4-2-12(3-5-13)17-15(19)6-9-16/h2-5,14H,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide?
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 90595833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).