1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide

C22H33N5O4 — CID 7645044

IUPAC1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCC(C(N)=O)CC2)N2CCOCC2)cc1
InChIInChI=1S/C22H33N5O4/c1-25(2)18-5-3-16(4-6-18)19(26-11-13-31-14-12-26)15-24-21(29)22(30)27-9-7-17(8-10-27)20(23)28/h3-6,17,19H,7-15H2,1-2H3,(H2,23,28)(H,24,29)/t19-/m0/s1
InChIKeySHYVXCWPQLYNAK-IBGZPJMESA-N
MW431.54 g/mol
LogP-0.03
Rot. Bonds6

About 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 7645044) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID7645044
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC Name1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCC(C(N)=O)CC2)N2CCOCC2)cc1
InChIInChI=1S/C22H33N5O4/c1-25(2)18-5-3-16(4-6-18)19(26-11-13-31-14-12-26)15-24-21(29)22(30)27-9-7-17(8-10-27)20(23)28/h3-6,17,19H,7-15H2,1-2H3,(H2,23,28)(H,24,29)/t19-/m0/s1
InChIKeySHYVXCWPQLYNAK-IBGZPJMESA-N
XLogP-0.03
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-oxoacetamide
CID 7192728
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 7644897
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583650
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 7645008
N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 7644835
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
CID 7496780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide (CID 7645044) is 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide is CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCC(C(N)=O)CC2)N2CCOCC2)cc1.
What is the InChIKey of 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is SHYVXCWPQLYNAK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5O4/c1-25(2)18-5-3-16(4-6-18)19(26-11-13-31-14-12-26)15-24-21(29)22(30)27-9-7-17(8-10-27)20(23)28/h3-6,17,19H,7-15H2,1-2H3,(H2,23,28)(H,24,29)/t19-/m0/s1.
What are the key properties of 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 7645044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).