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

C24H29N3O2S — CID 139683457

IUPAC2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C24H29N3O2S/c28-23(25-16-18-8-11-26(12-9-18)17-19-5-3-14-30-19)15-21-20-6-1-2-7-22(20)27-10-4-13-29-24(21)27/h1-3,5-7,14,18H,4,8-13,15-17H2,(H,25,28)
InChIKeyCNJUMNSCBREFHY-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.06
Rot. Bonds6

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

2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 139683457) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID139683457
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C24H29N3O2S/c28-23(25-16-18-8-11-26(12-9-18)17-19-5-3-14-30-19)15-21-20-6-1-2-7-22(20)27-10-4-13-29-24(21)27/h1-3,5-7,14,18H,4,8-13,15-17H2,(H,25,28)
InChIKeyCNJUMNSCBREFHY-UHFFFAOYSA-N
XLogP4.06
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.06
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
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
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261
2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056672
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
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
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 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) is 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(Cc1c2n(c3ccccc13)CCCO2)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CNJUMNSCBREFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c28-23(25-16-18-8-11-26(12-9-18)17-19-5-3-14-30-19)15-21-20-6-1-2-7-22(20)27-10-4-13-29-24(21)27/h1-3,5-7,14,18H,4,8-13,15-17H2,(H,25,28).
What are the key properties of 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 423.58 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 139683457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).