1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide

C22H31N3O5 — CID 131904149

IUPAC1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H31N3O5/c1-16(2)22(28)25-9-7-17(8-10-25)21(27)23-18-3-5-19(6-4-18)30-15-20(26)24-11-13-29-14-12-24/h3-6,16-17H,7-15H2,1-2H3,(H,23,27)
InChIKeyGSLSJNKDKCRUND-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.76
Rot. Bonds6

About 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 131904149) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
PubChem CID131904149
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H31N3O5/c1-16(2)22(28)25-9-7-17(8-10-25)21(27)23-18-3-5-19(6-4-18)30-15-20(26)24-11-13-29-14-12-24/h3-6,16-17H,7-15H2,1-2H3,(H,23,27)
InChIKeyGSLSJNKDKCRUND-UHFFFAOYSA-N
XLogP1.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide (CID 131904149) is 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is GSLSJNKDKCRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-16(2)22(28)25-9-7-17(8-10-25)21(27)23-18-3-5-19(6-4-18)30-15-20(26)24-11-13-29-14-12-24/h3-6,16-17H,7-15H2,1-2H3,(H,23,27).
What are the key properties of 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 131904149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).