N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C22H26N4O5 — CID 71837576

IUPACN-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26N4O5/c1-14-19(21(27)25-8-2-3-9-25)24-20(31-14)15-6-10-26(11-7-15)22(28)23-16-4-5-17-18(12-16)30-13-29-17/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,23,28)
InChIKeyCZIZTSAYOXNTMA-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.36
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837576) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837576
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26N4O5/c1-14-19(21(27)25-8-2-3-9-25)24-20(31-14)15-6-10-26(11-7-15)22(28)23-16-4-5-17-18(12-16)30-13-29-17/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,23,28)
InChIKeyCZIZTSAYOXNTMA-UHFFFAOYSA-N
XLogP3.36
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxamide
CID 53168460
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168459
N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168463
N-(4-Methoxy-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 53168475
N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168478
N-(2-Methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837560
N-(2-Ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837562
N-(4-Methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837563
N-(4-Ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837570
N-(2-Methoxy-5-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837578
N-(2-Methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837589

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837576) is N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is CZIZTSAYOXNTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-19(21(27)25-8-2-3-9-25)24-20(31-14)15-6-10-26(11-7-15)22(28)23-16-4-5-17-18(12-16)30-13-29-17/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,23,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).