N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C24H30N4O4 — CID 99882068

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)/C=C\c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H30N4O4/c1-17-9-13-24(14-10-17)22(31)28(23(32)25-24)26-21(30)19-11-15-27(16-12-19)20(29)8-7-18-5-3-2-4-6-18/h2-8,17,19H,9-16H2,1H3,(H,25,32)(H,26,30)/b8-7-
InChIKeyYLNSXXMGSZMBIA-FPLPWBNLSA-N
MW438.53 g/mol
LogP2.47
Rot. Bonds4

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 99882068) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID99882068
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)/C=C\c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H30N4O4/c1-17-9-13-24(14-10-17)22(31)28(23(32)25-24)26-21(30)19-11-15-27(16-12-19)20(29)8-7-18-5-3-2-4-6-18/h2-8,17,19H,9-16H2,1H3,(H,25,32)(H,26,30)/b8-7-
InChIKeyYLNSXXMGSZMBIA-FPLPWBNLSA-N
XLogP2.47
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
1-(3,5-dimethoxybenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
CID 55719853
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
N-(1-cyanocyclobutyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 71883038
N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 75364452
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 99882068) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)/C=C\c3ccccc3)CC1)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is YLNSXXMGSZMBIA-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-9-13-24(14-10-17)22(31)28(23(32)25-24)26-21(30)19-11-15-27(16-12-19)20(29)8-7-18-5-3-2-4-6-18/h2-8,17,19H,9-16H2,1H3,(H,25,32)(H,26,30)/b8-7-.
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 99882068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).