N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide

C35H44N4O3 — CID 69101431

IUPACN-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide
SMILESCCCN1CCC[C@H](CNC(=O)CCNC(=O)CNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C35H44N4O3/c1-2-22-39-23-12-13-28(27-39)25-37-32(40)20-21-36-34(42)26-38-33(41)24-35(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-11,14-19,28H,2,12-13,20-27H2,1H3,(H,36,42)(H,37,40)(H,38,41)/t28-/m1/s1
InChIKeyOPBZTQJWZUIBCT-MUUNZHRXSA-N
MW568.76 g/mol
LogP4.27
Rot. Bonds14

About N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide

N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide (PubChem CID 69101431) has the molecular formula C35H44N4O3 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide
PubChem CID69101431
Molecular FormulaC35H44N4O3
Molecular Weight568.76 g/mol
Exact Mass568.34
IUPAC NameN-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide
SMILESCCCN1CCC[C@H](CNC(=O)CCNC(=O)CNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C35H44N4O3/c1-2-22-39-23-12-13-28(27-39)25-37-32(40)20-21-36-34(42)26-38-33(41)24-35(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-11,14-19,28H,2,12-13,20-27H2,1H3,(H,36,42)(H,37,40)(H,38,41)/t28-/m1/s1
InChIKeyOPBZTQJWZUIBCT-MUUNZHRXSA-N
XLogP4.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.76
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide with MolForge

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Related Compounds

3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
(2R)-N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-1-[(2S)-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10919522
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
CID 23590438
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide?
The IUPAC name of N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide (CID 69101431) is N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide?
The canonical SMILES for N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide is CCCN1CCC[C@H](CNC(=O)CCNC(=O)CNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide?
The InChIKey is OPBZTQJWZUIBCT-MUUNZHRXSA-N. The full InChI is InChI=1S/C35H44N4O3/c1-2-22-39-23-12-13-28(27-39)25-37-32(40)20-21-36-34(42)26-38-33(41)24-35(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-11,14-19,28H,2,12-13,20-27H2,1H3,(H,36,42)(H,37,40)(H,38,41)/t28-/m1/s1.
What are the key properties of N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide?
N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide has a molecular weight of 568.76 g/mol, XLogP of 4.27, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide is sourced from PubChem (CID 69101431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).