N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide

C21H28N2O4 — CID 52513590

IUPACN-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1
InChIInChI=1S/C21H28N2O4/c1-4-6-19(24)22-12-15-7-5-10-23(13-15)21(25)20-14(2)17-11-16(26-3)8-9-18(17)27-20/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyMTYBQZXNPHKBEW-OAHLLOKOSA-N
MW372.47 g/mol
LogP3.52
Rot. Bonds6

About N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide (PubChem CID 52513590) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
PubChem CID52513590
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1
InChIInChI=1S/C21H28N2O4/c1-4-6-19(24)22-12-15-7-5-10-23(13-15)21(25)20-14(2)17-11-16(26-3)8-9-18(17)27-20/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyMTYBQZXNPHKBEW-OAHLLOKOSA-N
XLogP3.52
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 97155685
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862268
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
N-[[(3S)-1-[2-(2,5-dimethylpyrrol-1-yl)-5-methylbenzoyl]piperidin-3-yl]methyl]butanamide
CID 52861399
2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8810643

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide (CID 52513590) is N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1.
What is the InChIKey of N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is MTYBQZXNPHKBEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-4-6-19(24)22-12-15-7-5-10-23(13-15)21(25)20-14(2)17-11-16(26-3)8-9-18(17)27-20/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 372.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 52513590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).