N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C22H29N3O7 — CID 93198777

IUPACN-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N3O7/c1-29-13-19(26)24-6-4-15(5-7-24)20(22(28)25-8-10-30-11-9-25)23-21(27)16-2-3-17-18(12-16)32-14-31-17/h2-3,12,15,20H,4-11,13-14H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyYFXNNIZAPNHEHZ-HXUWFJFHSA-N
MW447.49 g/mol
LogP0.26
Rot. Bonds6

About N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 93198777) has the molecular formula C22H29N3O7 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID93198777
Molecular FormulaC22H29N3O7
Molecular Weight447.49 g/mol
Exact Mass447.20
IUPAC NameN-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N3O7/c1-29-13-19(26)24-6-4-15(5-7-24)20(22(28)25-8-10-30-11-9-25)23-21(27)16-2-3-17-18(12-16)32-14-31-17/h2-3,12,15,20H,4-11,13-14H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyYFXNNIZAPNHEHZ-HXUWFJFHSA-N
XLogP0.26
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198761
N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198760
N-[(1R)-2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198466
N-[(1S)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198774
N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198755
N-[2-(butan-2-ylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46151850
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019925
N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-(propylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46019976
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46151859
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
N-[2-oxo-2-pyrrolidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46020009

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 93198777) is N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is COCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YFXNNIZAPNHEHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O7/c1-29-13-19(26)24-6-4-15(5-7-24)20(22(28)25-8-10-30-11-9-25)23-21(27)16-2-3-17-18(12-16)32-14-31-17/h2-3,12,15,20H,4-11,13-14H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 93198777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).