N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C22H29N3O6 — CID 93198760

IUPACN-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N3O6/c1-2-19(26)24-7-5-15(6-8-24)20(22(28)25-9-11-29-12-10-25)23-21(27)16-3-4-17-18(13-16)31-14-30-17/h3-4,13,15,20H,2,5-12,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyYXTPERVUZKFAQG-FQEVSTJZSA-N
MW431.49 g/mol
LogP1.02
Rot. Bonds5

About N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 93198760) has the molecular formula C22H29N3O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID93198760
Molecular FormulaC22H29N3O6
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC NameN-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N3O6/c1-2-19(26)24-7-5-15(6-8-24)20(22(28)25-9-11-29-12-10-25)23-21(27)16-3-4-17-18(13-16)31-14-30-17/h3-4,13,15,20H,2,5-12,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyYXTPERVUZKFAQG-FQEVSTJZSA-N
XLogP1.02
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198761
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198777
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-oxo-1-(1-propanoylpiperidin-4-yl)-2-(propylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46019976
N-[2-(butan-2-ylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46151850
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
N-[(1R)-2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198466
N-[2-oxo-2-pyrrolidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46020009
4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46020701
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42840370

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 93198760) is N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is CCC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YXTPERVUZKFAQG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O6/c1-2-19(26)24-7-5-15(6-8-24)20(22(28)25-9-11-29-12-10-25)23-21(27)16-3-4-17-18(13-16)31-14-30-17/h3-4,13,15,20H,2,5-12,14H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 93198760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).