N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H24N4O2 — CID 9361911

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(10-9-18-6-2-1-3-7-18)26-14-11-19(12-15-26)23(29)24-16-20-17-27-13-5-4-8-21(27)25-20/h1-10,13,17,19H,11-12,14-16H2,(H,24,29)/b10-9+
InChIKeyBOAFTXIRKMWOKM-MDZDMXLPSA-N
MW388.47 g/mol
LogP2.90
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 9361911) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID9361911
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(10-9-18-6-2-1-3-7-18)26-14-11-19(12-15-26)23(29)24-16-20-17-27-13-5-4-8-21(27)25-20/h1-10,13,17,19H,11-12,14-16H2,(H,24,29)/b10-9+
InChIKeyBOAFTXIRKMWOKM-MDZDMXLPSA-N
XLogP2.90
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 32970234
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 30539816
1-[(E)-3-phenylprop-2-enoyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 46461401
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46789652
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 25482613
N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 24560077
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 9361911) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(NCc1cn2ccccc2n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is BOAFTXIRKMWOKM-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(10-9-18-6-2-1-3-7-18)26-14-11-19(12-15-26)23(29)24-16-20-17-27-13-5-4-8-21(27)25-20/h1-10,13,17,19H,11-12,14-16H2,(H,24,29)/b10-9+.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 9361911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).