N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide

C20H26ClN5O4 — CID 95784456

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
SMILESC[C@]1(C2CCN(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C20H26ClN5O4/c1-20(17(27)23-18(28)24-20)13-5-7-26(8-6-13)19(29)22-15-4-2-3-14(21)16(15)25-9-11-30-12-10-25/h2-4,13H,5-12H2,1H3,(H,22,29)(H2,23,24,27,28)/t20-/m1/s1
InChIKeyHTHPMRSXZNKWFS-HXUWFJFHSA-N
MW435.91 g/mol
LogP2.02
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide (PubChem CID 95784456) has the molecular formula C20H26ClN5O4 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
PubChem CID95784456
Molecular FormulaC20H26ClN5O4
Molecular Weight435.91 g/mol
Exact Mass435.17
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
SMILESC[C@]1(C2CCN(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C20H26ClN5O4/c1-20(17(27)23-18(28)24-20)13-5-7-26(8-6-13)19(29)22-15-4-2-3-14(21)16(15)25-9-11-30-12-10-25/h2-4,13H,5-12H2,1H3,(H,22,29)(H2,23,24,27,28)/t20-/m1/s1
InChIKeyHTHPMRSXZNKWFS-HXUWFJFHSA-N
XLogP2.02
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-N-(3-chloro-2-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1,4-diazepane-1-carboxamide
CID 95784144
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CID 24614259
(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 97091089
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N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24603908
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide (CID 95784456) is N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide is C[C@]1(C2CCN(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)NC(=O)NC1=O.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?
The InChIKey is HTHPMRSXZNKWFS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26ClN5O4/c1-20(17(27)23-18(28)24-20)13-5-7-26(8-6-13)19(29)22-15-4-2-3-14(21)16(15)25-9-11-30-12-10-25/h2-4,13H,5-12H2,1H3,(H,22,29)(H2,23,24,27,28)/t20-/m1/s1.
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95784456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).