N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C22H32N2O4 — CID 60574936

IUPACN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(OCC2CCCO2)c1
InChIInChI=1S/C22H32N2O4/c1-15(2)22(26)24-10-8-17(9-11-24)21(25)23-19-7-6-16(3)13-20(19)28-14-18-5-4-12-27-18/h6-7,13,15,17-18H,4-5,8-12,14H2,1-3H3,(H,23,25)
InChIKeyNDKMRMMGLTZYSY-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.39
Rot. Bonds6

About N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 60574936) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID60574936
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(OCC2CCCO2)c1
InChIInChI=1S/C22H32N2O4/c1-15(2)22(26)24-10-8-17(9-11-24)21(25)23-19-7-6-16(3)13-20(19)28-14-18-5-4-12-27-18/h6-7,13,15,17-18H,4-5,8-12,14H2,1-3H3,(H,23,25)
InChIKeyNDKMRMMGLTZYSY-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N-[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97070094
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 60574936) is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(OCC2CCCO2)c1.
What is the InChIKey of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is NDKMRMMGLTZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15(2)22(26)24-10-8-17(9-11-24)21(25)23-19-7-6-16(3)13-20(19)28-14-18-5-4-12-27-18/h6-7,13,15,17-18H,4-5,8-12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 60574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).