N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

C25H29N5O3 — CID 50767348

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)cc2)no1
InChIInChI=1S/C25H29N5O3/c1-17-27-23(28-33-17)19-6-8-21(9-7-19)25(32)30-14-12-20(13-15-30)24(31)26-16-18-4-10-22(11-5-18)29(2)3/h4-11,20H,12-16H2,1-3H3,(H,26,31)
InChIKeyUNWYKBZQOKTJFU-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.28
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 50767348) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID50767348
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)cc2)no1
InChIInChI=1S/C25H29N5O3/c1-17-27-23(28-33-17)19-6-8-21(9-7-19)25(32)30-14-12-20(13-15-30)24(31)26-16-18-4-10-22(11-5-18)29(2)3/h4-11,20H,12-16H2,1-3H3,(H,26,31)
InChIKeyUNWYKBZQOKTJFU-UHFFFAOYSA-N
XLogP3.28
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92731324
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
(2R)-N-[(4-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 92893367
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 166265848
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (CID 50767348) is N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)cc2)no1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is UNWYKBZQOKTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-27-23(28-33-17)19-6-8-21(9-7-19)25(32)30-14-12-20(13-15-30)24(31)26-16-18-4-10-22(11-5-18)29(2)3/h4-11,20H,12-16H2,1-3H3,(H,26,31).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 50767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).