N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide

C25H37N5O3 — CID 55987416

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)o2)cc1
InChIInChI=1S/C25H37N5O3/c1-18-6-8-20(9-7-18)24-28-27-21(33-24)10-11-22(31)30-14-12-19(13-15-30)23(32)26-16-25(2,3)17-29(4)5/h6-9,19H,10-17H2,1-5H3,(H,26,32)
InChIKeyKIDIQKDFXLJLPK-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.92
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 55987416) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
PubChem CID55987416
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)o2)cc1
InChIInChI=1S/C25H37N5O3/c1-18-6-8-20(9-7-18)24-28-27-21(33-24)10-11-22(31)30-14-12-19(13-15-30)23(32)26-16-25(2,3)17-29(4)5/h6-9,19H,10-17H2,1-5H3,(H,26,32)
InChIKeyKIDIQKDFXLJLPK-UHFFFAOYSA-N
XLogP2.92
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31828706
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 95777113
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56521156
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide (CID 55987416) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide is Cc1ccc(-c2nnc(CCC(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)o2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is KIDIQKDFXLJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-18-6-8-20(9-7-18)24-28-27-21(33-24)10-11-22(31)30-14-12-19(13-15-30)23(32)26-16-25(2,3)17-29(4)5/h6-9,19H,10-17H2,1-5H3,(H,26,32).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55987416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).