N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide

C19H23N3O4 — CID 166411352

IUPACN-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(C(N)=O)CCOc3ccccc32)C1
InChIInChI=1S/C19H23N3O4/c1-2-16(23)22-10-5-6-13(12-22)17(24)21-19(18(20)25)9-11-26-15-8-4-3-7-14(15)19/h2-4,7-8,13H,1,5-6,9-12H2,(H2,20,25)(H,21,24)
InChIKeyZIKRCQOSDNVPIB-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.69
Rot. Bonds4

About N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide

N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166411352) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166411352
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(C(N)=O)CCOc3ccccc32)C1
InChIInChI=1S/C19H23N3O4/c1-2-16(23)22-10-5-6-13(12-22)17(24)21-19(18(20)25)9-11-26-15-8-4-3-7-14(15)19/h2-4,7-8,13H,1,5-6,9-12H2,(H2,20,25)(H,21,24)
InChIKeyZIKRCQOSDNVPIB-UHFFFAOYSA-N
XLogP0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411407
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416109
(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
CID 167799793
N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166415999
1-prop-2-enoyl-N'-(3-sulfanylidene-4H-quinoxalin-2-yl)piperidine-3-carbohydrazide
CID 166287455
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide (CID 166411352) is N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC2(C(N)=O)CCOc3ccccc32)C1.
What is the InChIKey of N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is ZIKRCQOSDNVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-16(23)22-10-5-6-13(12-22)17(24)21-19(18(20)25)9-11-26-15-8-4-3-7-14(15)19/h2-4,7-8,13H,1,5-6,9-12H2,(H2,20,25)(H,21,24).
What are the key properties of N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).