N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

C22H27N3O5 — CID 94221459

IUPACN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H27N3O5/c26-20(21(27)24-14-17-5-3-11-29-17)23-13-15-7-9-25(10-8-15)22(28)19-12-16-4-1-2-6-18(16)30-19/h1-2,4,6,12,15,17H,3,5,7-11,13-14H2,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyRMZUKQDNNVFTSV-KRWDZBQOSA-N
MW413.47 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 94221459) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID94221459
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H27N3O5/c26-20(21(27)24-14-17-5-3-11-29-17)23-13-15-7-9-25(10-8-15)22(28)19-12-16-4-1-2-6-18(16)30-19/h1-2,4,6,12,15,17H,3,5,7-11,13-14H2,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyRMZUKQDNNVFTSV-KRWDZBQOSA-N
XLogP1.70
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide 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

1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100676870
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
1-(1-benzofuran-2-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495123

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 94221459) is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is RMZUKQDNNVFTSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O5/c26-20(21(27)24-14-17-5-3-11-29-17)23-13-15-7-9-25(10-8-15)22(28)19-12-16-4-1-2-6-18(16)30-19/h1-2,4,6,12,15,17H,3,5,7-11,13-14H2,(H,23,26)(H,24,27)/t17-/m0/s1.
What are the key properties of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 413.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 94221459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).