N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide

C19H25N5O4 — CID 136515791

IUPACN-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCCNC(=O)c3ccccc3)C2)NC(=O)NC1=O
InChIInChI=1S/C19H25N5O4/c1-19(16(26)22-17(27)23-19)14-8-5-11-24(12-14)18(28)21-10-9-20-15(25)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,25)(H,21,28)(H2,22,23,26,27)
InChIKeyNBNBBJMEOTUVFR-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.44
Rot. Bonds5

About N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide

N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide (PubChem CID 136515791) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide
PubChem CID136515791
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCCNC(=O)c3ccccc3)C2)NC(=O)NC1=O
InChIInChI=1S/C19H25N5O4/c1-19(16(26)22-17(27)23-19)14-8-5-11-24(12-14)18(28)21-10-9-20-15(25)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,25)(H,21,28)(H2,22,23,26,27)
InChIKeyNBNBBJMEOTUVFR-UHFFFAOYSA-N
XLogP0.44
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-[1-(2-sulfanylidene-3H-1,3-benzoxazole-5-carbonyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 138034704
2-[(3R)-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-N-propylacetamide
CID 95780857
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 95780872
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
CID 59794376
N-(furan-2-ylmethyl)-N-methyl-2-[(3S)-3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 95780908
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide (CID 136515791) is N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide is CC1(C2CCCN(C(=O)NCCNC(=O)c3ccccc3)C2)NC(=O)NC1=O.
What is the InChIKey of N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide?
The InChIKey is NBNBBJMEOTUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-19(16(26)22-17(27)23-19)14-8-5-11-24(12-14)18(28)21-10-9-20-15(25)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,25)(H,21,28)(H2,22,23,26,27).
What are the key properties of N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide?
N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136515791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).