(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide

C26H36N4O2 — CID 41118821

IUPAC(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C26H36N4O2/c1-21(26(31)27-23-10-12-24(13-11-23)29-14-6-3-7-15-29)28(2)20-22-8-4-5-9-25(22)30-16-18-32-19-17-30/h4-5,8-13,21H,3,6-7,14-20H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyMANLGLXBQGIGNS-OAQYLSRUSA-N
MW436.60 g/mol
LogP3.97
Rot. Bonds7

About (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide

(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 41118821) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID41118821
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C26H36N4O2/c1-21(26(31)27-23-10-12-24(13-11-23)29-14-6-3-7-15-29)28(2)20-22-8-4-5-9-25(22)30-16-18-32-19-17-30/h4-5,8-13,21H,3,6-7,14-20H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyMANLGLXBQGIGNS-OAQYLSRUSA-N
XLogP3.97
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
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

(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(4-nitrophenyl)propanamide
CID 40795616
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491927
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215
N-(cyclohexylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 46631245
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25329070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 41118821) is (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is MANLGLXBQGIGNS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-21(26(31)27-23-10-12-24(13-11-23)29-14-6-3-7-15-29)28(2)20-22-8-4-5-9-25(22)30-16-18-32-19-17-30/h4-5,8-13,21H,3,6-7,14-20H2,1-2H3,(H,27,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide?
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 436.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 41118821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).