N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide

C30H34N4O3 — CID 142647198

IUPACN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C30H34N4O3/c1-21-8-9-26(32-29(35)25-6-3-7-27(19-25)34-14-16-37-17-15-34)20-28(21)33-30(36)24-5-2-4-23(18-24)22-10-12-31-13-11-22/h2-9,18-20,22,31H,10-17H2,1H3,(H,32,35)(H,33,36)
InChIKeyLSLHKFFOYCIAMK-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.80
Rot. Bonds6

About N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide

N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide (PubChem CID 142647198) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
PubChem CID142647198
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C30H34N4O3/c1-21-8-9-26(32-29(35)25-6-3-7-27(19-25)34-14-16-37-17-15-34)20-28(21)33-30(36)24-5-2-4-23(18-24)22-10-12-31-13-11-22/h2-9,18-20,22,31H,10-17H2,1H3,(H,32,35)(H,33,36)
InChIKeyLSLHKFFOYCIAMK-UHFFFAOYSA-N
XLogP4.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 174382009
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
tert-butyl 4-[4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 22291050
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 70208034
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide?
The IUPAC name of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide (CID 142647198) is N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide.
What is the SMILES notation for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide?
The canonical SMILES for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1.
What is the InChIKey of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide?
The InChIKey is LSLHKFFOYCIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-21-8-9-26(32-29(35)25-6-3-7-27(19-25)34-14-16-37-17-15-34)20-28(21)33-30(36)24-5-2-4-23(18-24)22-10-12-31-13-11-22/h2-9,18-20,22,31H,10-17H2,1H3,(H,32,35)(H,33,36).
What are the key properties of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide?
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide is sourced from PubChem (CID 142647198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).