N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide

C28H31N3O3 — CID 139683456

IUPACN-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C28H31N3O3/c32-27(17-24-23-7-2-3-8-25(23)31-12-5-15-33-28(24)31)29-18-20-10-13-30(14-11-20)19-22-16-21-6-1-4-9-26(21)34-22/h1-4,6-9,16,20H,5,10-15,17-19H2,(H,29,32)
InChIKeyDGOKMUXBYADLAP-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.74
Rot. Bonds6

About N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide

N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide (PubChem CID 139683456) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide
PubChem CID139683456
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C28H31N3O3/c32-27(17-24-23-7-2-3-8-25(23)31-12-5-15-33-28(24)31)29-18-20-10-13-30(14-11-20)19-22-16-21-6-1-4-9-26(21)34-22/h1-4,6-9,16,20H,5,10-15,17-19H2,(H,29,32)
InChIKeyDGOKMUXBYADLAP-UHFFFAOYSA-N
XLogP4.74
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 139683458
2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 139683457
N-[[1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
CID 118712569
N-[[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide
CID 95230885
N-[[1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
CID 72697299
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[(1-butylpiperidin-4-yl)methyl]-7-hydroxy-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
CID 73354085
3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 26403271
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide?
The IUPAC name of N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide (CID 139683456) is N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide.
What is the SMILES notation for N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide?
The canonical SMILES for N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide is O=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide?
The InChIKey is DGOKMUXBYADLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(17-24-23-7-2-3-8-25(23)31-12-5-15-33-28(24)31)29-18-20-10-13-30(14-11-20)19-22-16-21-6-1-4-9-26(21)34-22/h1-4,6-9,16,20H,5,10-15,17-19H2,(H,29,32).
What are the key properties of N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide?
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide is sourced from PubChem (CID 139683456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).