(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide

C21H25N3O — CID 38105491

IUPAC(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1cccnc1
InChIInChI=1S/C21H25N3O/c1-23(21(25)12-9-18-6-5-13-22-16-18)17-19-7-10-20(11-8-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15,17H2,1H3/b12-9+
InChIKeyNKAUKIYEZBQRPG-FMIVXFBMSA-N
MW335.45 g/mol
LogP3.74
Rot. Bonds5

About (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 38105491) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID38105491
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1cccnc1
InChIInChI=1S/C21H25N3O/c1-23(21(25)12-9-18-6-5-13-22-16-18)17-19-7-10-20(11-8-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15,17H2,1H3/b12-9+
InChIKeyNKAUKIYEZBQRPG-FMIVXFBMSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 76940045
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide
CID 134013121
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 38085432
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51092491
(E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135599233
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 26972999
(E)-N-[(4-formyl-5-methoxycyclohexa-1,5-dien-1-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 142842102
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide
CID 26972753
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide (CID 38105491) is (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is NKAUKIYEZBQRPG-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23(21(25)12-9-18-6-5-13-22-16-18)17-19-7-10-20(11-8-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15,17H2,1H3/b12-9+.
What are the key properties of (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 38105491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).