(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide

C20H26N4O2 — CID 166685273

IUPAC(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCCN(/C(=C/C(=O)N(C)C)N(C=O)Cc2ccccc2C#N)C1
InChIInChI=1S/C20H26N4O2/c1-16-7-6-10-23(13-16)19(11-20(26)22(2)3)24(15-25)14-18-9-5-4-8-17(18)12-21/h4-5,8-9,11,15-16H,6-7,10,13-14H2,1-3H3/b19-11-
InChIKeyVWNPGJZIISDASD-ODLFYWEKSA-N
MW354.45 g/mol
LogP2.18
Rot. Bonds6

About (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide

(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 166685273) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide
PubChem CID166685273
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCCN(/C(=C/C(=O)N(C)C)N(C=O)Cc2ccccc2C#N)C1
InChIInChI=1S/C20H26N4O2/c1-16-7-6-10-23(13-16)19(11-20(26)22(2)3)24(15-25)14-18-9-5-4-8-17(18)12-21/h4-5,8-9,11,15-16H,6-7,10,13-14H2,1-3H3/b19-11-
InChIKeyVWNPGJZIISDASD-ODLFYWEKSA-N
XLogP2.18
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide (CID 166685273) is (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide is CC1CCCN(/C(=C/C(=O)N(C)C)N(C=O)Cc2ccccc2C#N)C1.
What is the InChIKey of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is VWNPGJZIISDASD-ODLFYWEKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-7-6-10-23(13-16)19(11-20(26)22(2)3)24(15-25)14-18-9-5-4-8-17(18)12-21/h4-5,8-9,11,15-16H,6-7,10,13-14H2,1-3H3/b19-11-.
What are the key properties of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide?
(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 354.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 166685273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).