N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide

C21H31N3O3 — CID 131900520

IUPACN-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide
SMILESCc1cccc(NC(=O)CC(=O)N2CCCCC2CN2CCOCC2)c1C
InChIInChI=1S/C21H31N3O3/c1-16-6-5-8-19(17(16)2)22-20(25)14-21(26)24-9-4-3-7-18(24)15-23-10-12-27-13-11-23/h5-6,8,18H,3-4,7,9-15H2,1-2H3,(H,22,25)
InChIKeyFBAIZNIYVAJHBN-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.35
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide

N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide (PubChem CID 131900520) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide
PubChem CID131900520
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide
SMILESCc1cccc(NC(=O)CC(=O)N2CCCCC2CN2CCOCC2)c1C
InChIInChI=1S/C21H31N3O3/c1-16-6-5-8-19(17(16)2)22-20(25)14-21(26)24-9-4-3-7-18(24)15-23-10-12-27-13-11-23/h5-6,8,18H,3-4,7,9-15H2,1-2H3,(H,22,25)
InChIKeyFBAIZNIYVAJHBN-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
6-methyl-1-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72839391
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
2-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694672
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
N-(2,3-dimethylphenyl)-3-oxo-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propanamide
CID 50983685

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide (CID 131900520) is N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide is Cc1cccc(NC(=O)CC(=O)N2CCCCC2CN2CCOCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide?
The InChIKey is FBAIZNIYVAJHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-6-5-8-19(17(16)2)22-20(25)14-21(26)24-9-4-3-7-18(24)15-23-10-12-27-13-11-23/h5-6,8,18H,3-4,7,9-15H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide?
N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide has a molecular weight of 373.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 131900520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).