(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide

C24H28Cl2N4O3 — CID 39013591

IUPAC(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESO=C(CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28Cl2N4O3/c25-20-9-6-18(15-21(20)26)28-24(32)22-3-1-2-10-30(22)16-23(31)27-17-4-7-19(8-5-17)29-11-13-33-14-12-29/h4-9,15,22H,1-3,10-14,16H2,(H,27,31)(H,28,32)/t22-/m1/s1
InChIKeyUBMZOMZBSWYYAK-JOCHJYFZSA-N
MW491.42 g/mol
LogP4.26
Rot. Bonds6

About (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide

(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 39013591) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
PubChem CID39013591
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESO=C(CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28Cl2N4O3/c25-20-9-6-18(15-21(20)26)28-24(32)22-3-1-2-10-30(22)16-23(31)27-17-4-7-19(8-5-17)29-11-13-33-14-12-29/h4-9,15,22H,1-3,10-14,16H2,(H,27,31)(H,28,32)/t22-/m1/s1
InChIKeyUBMZOMZBSWYYAK-JOCHJYFZSA-N
XLogP4.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide (CID 39013591) is (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide is O=C(CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is UBMZOMZBSWYYAK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c25-20-9-6-18(15-21(20)26)28-24(32)22-3-1-2-10-30(22)16-23(31)27-17-4-7-19(8-5-17)29-11-13-33-14-12-29/h4-9,15,22H,1-3,10-14,16H2,(H,27,31)(H,28,32)/t22-/m1/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide?
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 491.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 39013591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).