N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

C22H24N4O3 — CID 121160469

IUPACN-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H24N4O3/c27-19-15-23-21(28)26(19)18-11-13-25(14-12-18)22(29)24-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,28)(H,24,29)
InChIKeyMTVLMACXAKCOCD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.50
Rot. Bonds4

About N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (PubChem CID 121160469) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
PubChem CID121160469
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H24N4O3/c27-19-15-23-21(28)26(19)18-11-13-25(14-12-18)22(29)24-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,28)(H,24,29)
InChIKeyMTVLMACXAKCOCD-UHFFFAOYSA-N
XLogP2.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide
CID 121157128
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165108
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160458
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 121159977
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160201
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (CID 121160469) is N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is MTVLMACXAKCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-19-15-23-21(28)26(19)18-11-13-25(14-12-18)22(29)24-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,28)(H,24,29).
What are the key properties of N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121160469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).